SCHEMBL31644815

SCHEMBL31644815

CCCC[C@@H](CC)COC(=O)CCSc1ccc(C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL16387388 0.89 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL31260368 0.87 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL31260325 0.86 TSHR (0.50) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL31260359 0.84 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL26672534 0.84 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL31260406 0.83 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL31644838 0.83 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL31260378 0.82 TSHR (0.48) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL21111957 0.82 TSHR (0.50) CYP3A4TSHRTDP1ATMLMNA
SCHEMBL13845815 0.81 TSHR (0.52) CYP3A4TSHRTDP1ATMLMNA

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
WO-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 — — WO disclosed
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