SCHEMBL445585

SCHEMBL445585

Nc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.71
HSD17B10 Q99714 7/20 0.71
TDP1 Q9NUW8 4/20 0.71
RAB9A P51151 4/20 0.71
TSHR P16473 4/20 0.71
L3MBTL1 Q9Y468 4/20 0.71
NPC1 O15118 2/20 0.71
HPGD P15428 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CYP3A4 P08684 2/20 0.71
MAPK1 P28482 2/20 0.71
TP53 P04637 1/20 0.71
GLA P06280 1/20 0.71
HIF1A Q16665 1/20 0.71
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29394630 1.00 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1RAB9ATSHR
SCHEMBL2005925 0.88 ALDH1A1 (0.63) ALDH1A1HSD17B10TDP1RAB9ATSHR
SCHEMBL19451179 0.87 ALDH1A1 (0.61) ALDH1A1HSD17B10TDP1RAB9ATSHR
SCHEMBL50441 0.87 ALDH1A1 (0.89) ALDH1A1TDP1RAB9ATSHRL3MBTL1
SCHEMBL29388715 0.87 ALDH1A1 (0.89) ALDH1A1TDP1RAB9ATSHRL3MBTL1
SCHEMBL23812437 0.86 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1RAB9ATSHR
SCHEMBL2005821 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1RAB9ATSHR
SCHEMBL12569602 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10TDP1RAB9ATSHR
SCHEMBL29024631 0.84 RAB9A (0.63) ALDH1A1HSD17B10TDP1RAB9ATSHR
Isobutane SCHEMBL28352753 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1RAB9ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-116023297-A Camphora aroma compound, preparation method thereof and rosemary aroma essence 波顿香料股份有限公司 2023-04-28 CN claimed
CN-113812405-B Small blue-green scarab food attractant and application thereof 河北省农林科学院植物保护研究所 2022-10-28 CN claimed
CN-108264963-B Essence extraction system of o-aminobenzoic acid benzyl ester in tuberose 金溪县绿萃香精香料有限公司 2021-04-27 CN claimed
CN-111387218-A Environment-friendly physical insecticide and preparation method thereof 石家庄正鸿生物科技有限公司 2020-07-10 CN claimed
CN-106675083-A Synthetic method for disperse yellow 231 江苏道博化工有限公司 2017-05-17 CN claimed
US-20120199061-A1 Method and apparatus for enhancing live-scan fingerprint reader images The Hitt Companies 2012-08-09 US claimed
EP-1004654-A2 Adjuvants and methods for raising intracellular calcium ion concentration Takasago International Corporation (JP) 2000-05-31 EP claimed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP claimed
WO-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 WO disclosed
WO-2025073990-A1 SPF BOOSTER FOR SUNSCREEN COMPOSITION OXFORD UNIVERSITY INOVATION LTD. (GB) 2025-04-10 WO disclosed
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
CN-118844458-A Pesticide preparation for preventing and controlling red spiders by physical method 广西田园生化股份有限公司 2024-10-29 CN disclosed
EP-4370111-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2024-05-22 EP disclosed
CN-1091432-A Can suppress the active peptide of hiv protease, its preparation with and medical use SANKYO CO (JP) 1994-08-31 CN disclosed
US-5340801-A Compounds having cholecystokinin and gastrin antagonistic properties RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
CN-1054590-A The benzoic acid herbicides that 6-aryl-2-replaces FMC CORP (US) 1991-09-18 CN disclosed
EP-0193965-B1 NOVEL GUANIDINOMETHYLCYCLOHEXANCARBOXYLIC ACID COMPOUNDS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KANEBO, LTD. (JP) 1988-11-30 EP disclosed
US-4681895-A Novel guanidinomethylcyclohexanecarboxylic acid compounds and anti-ulcer drug containing the same KANEBO, LTD. (JP) 1987-07-21 US disclosed
EP-0193965-A2 Novel guanidinomethylcyclohexancarboxylic acid compounds, processes for preparing them, and pharmaceutical compositions containing them KANEBO, LTD. (JP) 1986-09-10 EP disclosed