SCHEMBL31556508

SCHEMBL31556508

CC(C)(C)OC(=O)N1CCC(C#Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.44
▸ GPR119 Q8TDV5 6/20 0.43
▸ STS P08842 1/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ NOTCH1 P46531 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ PDE4B Q07343 1/20 0.40

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
SCHEMBL30835966 1.00 TACR1 (0.44) TACR1GPR119STSTGFBR1GRM5
SCHEMBL30836036 0.94 USP30 (0.43) TACR1GPR119STSGRM5USP30
SCHEMBL31556549 0.94 USP30 (0.43) TACR1GPR119STSGRM5USP30
SCHEMBL30835997 0.94 GPR119 (0.47) GPR119STSTGFBR1GRM5POLB
SCHEMBL30835993 0.87 GPR119 (0.48) TACR1GPR119STSTGFBR1USP30
SCHEMBL31556577 0.81 TEAD1 (0.56) POLB
SCHEMBL27399837 0.81 TEAD1 (0.56) POLB
SCHEMBL30835946 0.81 TEAD1 (0.56) POLB
SCHEMBL27399893 0.81 TEAD1 (0.56) POLB
SCHEMBL30836020 0.80 GPR119 (0.52) GPR119STSTGFBR1MAPTALDH2

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-119894866-A YAP/TAZ-TEAD oncoprotein inhibitors 布里奇恩生物科学公司 2025-04-25 — — CN disclosed
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