SCHEMBL290332

SCHEMBL290332

COc1ccc([CH]c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.75
CA4 P22748 1/20 0.59
LTA4H P09960 2/20 0.56
SERPINE1 P05121 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP2A6 P11509 1/20 0.54
RELA Q04206 6/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP3A4 P08684 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NFE2L2 Q16236 3/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL27883 0.90 CA12 (0.65) TRPA1ALDH1A1CYP2A6RELACA12
SCHEMBL699620 0.86 TRPA1 (1.00) TRPA1ALDH1A1RELACYP3A4LMNA
SCHEMBL699621 0.86 TRPA1 (1.00) TRPA1ALDH1A1RELACYP3A4LMNA
SCHEMBL8845585 0.86 TRPA1 (1.00) TRPA1ALDH1A1RELACYP3A4LMNA
SCHEMBL11810449 0.82 USP2 (0.56) TRPA1CA4ALDH1A1CYP3A4TP53
Anisaldehyde SCHEMBL20357563 0.82 ALDH1A1 (0.83) TRPA1CA4LTA4HSERPINE1ALDH1A1
SCHEMBL8672323 0.82 TRPA1 (0.83) TRPA1ALDH1A1RELACYP3A4LMNA
Styrene SCHEMBL11794937 0.82 TRPA1 (0.69) TRPA1CA4LTA4HSERPINE1ALDH1A1
SCHEMBL2622563 0.82 TRPA1 (0.83) TRPA1ALDH1A1RELACYP3A4LMNA
SCHEMBL8521001 0.81 CYP1A2 (0.61) TRPA1ALDH1A1CYP2A6RELALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836304-A Improved oligonucleotide synthesis 巴克姆股份公司 2024-04-05 CN claimed
WO-2024005039-A1 METHOD FOR PRODUCING VERY-LONG-CHAIN POLYUNSATURATED FATTY ACID 株式会社ニッスイ 2024-01-04 WO claimed
CN-117304175-A Preparation method of chiral 3-benzofuran-3-amino-2-oxindole derivative 浙江理工大学 2023-12-29 CN claimed
CN-108473526-B Process for producing oligonucleotide and nucleoside, nucleotide or oligonucleotide 味之素株式会社 2022-08-09 CN claimed
CN-114249786-A Preparation and application of nucleoside intermediate containing N, N-diacyl structure 上海彩迩文生化科技有限公司 2022-03-29 CN claimed
CN-113429307-A Preparation method and application of stable isotope labeled glutamic acid and glutamic acid derivative 深圳鼎邦生物科技有限公司 2021-09-24 CN claimed
CN-105228999-B Process for preparing morpholino oligonucleotides 味之素株式会社 2021-03-02 CN claimed
CN-107790186-B Novel decamethyl cyclopentadienyl zirconium complex and preparation method and application thereof 山西医科大学 2020-10-30 CN claimed
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-0035719-A2 Process for producing modified inorganic polymers, their use in producing polynucleotides, and a reagent useful in these processes UNIVERSITY PATENTS, INC. (US) 1981-09-16 EP claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
US-4167630-A Process for epimerizing beta-lactam antibiotic compounds, and related products MERCK & CO., INC. (US) 1979-09-11 US claimed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 US claimed
US-4107432-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-08-15 US claimed
US-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 US claimed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US claimed
US-4051132-A Process for epimerizing beta-lactam antibiotic compounds by means of an acid quench MERCK & CO., INC. (US) 1977-09-27 US claimed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US claimed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 US claimed