SCHEMBL31375974

SCHEMBL31375974

FC(F)=C1CC(OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
DPP4 P27487 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 1/20 0.39
NAAA Q02083 3/20 0.39
ALDH1A1 P00352 1/20 0.39
AGTR2 P50052 2/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL31375972 1.00 CTSL (0.46) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL29132687 0.76 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL582674 0.76 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL425330 0.76 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL25303971 0.75 CTSL (0.46) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2647482 0.75 CTSL (0.53) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL6469380 0.74 OPRM1 (0.59) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL29378300 0.73 SLC6A4 (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL19023261 0.73 SLC6A4 (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL15797812 0.73 OPRM1 (0.54) CTSLCTSBCTSKOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 CN disclosed