SCHEMBL31644757

SCHEMBL31644757

CCCC[C@@H](CC)COC(=O)CCS(=O)(=O)c1ccc(C)c(F)c1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL31644959 0.82 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL31644710 0.81 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL31645409 0.80 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL21244612 0.76 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9889024 0.72 CYP3A4 (0.71) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9340238 0.72 CYP3A4 (0.71) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL44320 0.70 CYP3A4 (0.89) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9223518 0.70 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMRECQL
Ammonia Solution, Strong SCHEMBL16192512 0.69 CYP3A4 (0.86) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27423 0.69 CYP3A4 (1.00) CYP3A4TSHRTDP1ATMRECQL

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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