SCHEMBL2675712

SCHEMBL2675712

NC(CC=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 3/20 0.45
▸ DPP4 P27487 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ GBA1 P04062 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL4709939 1.00 SCN4A (0.45) SCN4ADPP4F2GBA1CYP2C19
SCHEMBL11252039 0.83 ANPEP (0.42) —
SCHEMBL9669874 0.78 SCN4A (0.47) SCN4ADPP4F2GBA1
SCHEMBL27966124 0.78 DPP4 (0.41) DPP4
SCHEMBL27966039 0.78 ADRB2 (0.45) SCN4ACYP2C19CYP2D6
SCHEMBL68782 0.78 HTR2A (0.46) DPP4F2CYP2C19GRIN1GRIN2A
SCHEMBL266309 0.77 SCN4A (0.45) SCN4ADPP4F2TAAR1
SCHEMBL7406881 0.77 CYP2C19 (0.57) SCN4ADPP4F2CYP2C19GRIN2D
SCHEMBL22705600 0.77 SCN4A (0.45) SCN4ADPP4F2GBA1GRIN2D
SCHEMBL898390 0.77 CYP2C19 (0.57) SCN4ADPP4F2CYP2C19GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102453001-A Thiomorpholine compound and preparation method and application thereof INST MATERIA MEDICA CAMS 2012-05-16 — — CN claimed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 — — EP claimed
CN-117327244-A Self-sensitization type radiochromic polyurethane elastomer and preparation method thereof 四川大学 2024-01-02 — — CN disclosed
CN-113549070-B Preparation method of malavisuo and derivatives thereof 中国科学院福建物质结构研究所 2022-12-06 — — CN disclosed
CN-113549070-A Preparation method of malavisuo and derivatives thereof 中国科学院福建物质结构研究所 2021-10-26 — — CN disclosed
CN-109476605-A Benzo-N- hydroxyamide compounds with anti-tumor activity 意大发马克股份公司 2019-03-15 — — CN disclosed
US-20170342451-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-11-30 — — US disclosed
US-9732365-B2 Biosynthesis of paclitaxel intermediate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-08-15 — — US disclosed
CN-103725725-B The non-cells,primordial suspension culture of seed of Hainan Plumyew is utilized to produce the method for taxol and precursor baccatin III thereof TROPICAL CROPS GENETIC RESOURCES INSTITUTE OF CHINESE ACADEMY OF TROPICAL AGRICULTURAL SCIENCES (CN) 2016-04-20 — — CN disclosed
US-20150284751-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-10-08 — — US disclosed
US-8962889-B2 Process for producing optically active β-amino aldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-24 — — US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 — — US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 — — US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 — — US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 — — US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 — — US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 — — US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 — — US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 — — US disclosed
Send feedback