SCHEMBL31149578

SCHEMBL31149578

C=Cc1cc(C)ncc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ SPR P35270 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLQ O75417 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK4 Q16654 1/20 0.34

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
SCHEMBL23449164 1.00 TSHR (0.39) TSHRSPRATMKDM4EALDH1A1
SCHEMBL29774964 0.83 KDM4E (0.39) TSHRKDM4EALDH1A1HTTMAPT
SCHEMBL22462019 0.83 NNMT (0.46) TSHRATMKDM4EALDH1A1HPGD
SCHEMBL31149537 0.81 GABRP (0.43) TSHRSPRKDM4EALDH1A1HPGD
SCHEMBL24769591 0.80 POLQ (0.44) POLQ
SCHEMBL26115003 0.79 KDM4E (0.45) TSHRSPRATMKDM4EALDH1A1
SCHEMBL22802075 0.79 CA12 (0.42) TSHRATMKDM4EALDH1A1HPGD
SCHEMBL25652163 0.78 NNMT (0.46) TSHRSPRATMKDM4EALDH1A1
SCHEMBL23449165 0.76 UHRF1 (0.31) —
SCHEMBL30161893 0.76 TSHR (0.47) TSHRATMKDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696688-A1 BENZO-FUSED RING COMPOUND INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2026-02-18 — — EP disclosed
WO-2024213042-A1 BENZO-FUSED RING COMPOUND INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-10-17 — — WO disclosed
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