SCHEMBL31366917

SCHEMBL31366917

OB(O)Oc1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
AOC3 Q16853 1/20 0.40
SOS1 Q07889 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
MAOA P21397 1/20 0.34
TRPA1 O75762 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
VEGFA P15692 1/20 0.31
ESR1 P03372 1/20 0.31
MAP4K4 O95819 1/20 0.31
SCN9A Q15858 1/20 0.31
GAA P10253 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3158582 1.00 MAOB (0.40) MAOBAOC3SOS1CES2CES1
SCHEMBL29706540 0.83 SLC6A4 (0.37) SOS1SLC6A4
SCHEMBL29107394 0.83 ESR1 (0.40) ESR1
SCHEMBL29184353 0.83 VCP (0.33) SOS1
SCHEMBL31019249 0.83 CA3 (0.46) ESR1
SCHEMBL6279875 0.81 SOS1 (0.41) MAOBAOC3SOS1CES2CES1
SCHEMBL739930 0.81 HTR2A (0.38) HTR2ASLC6A4KMT2A
SCHEMBL3367275 0.81 PPARG (0.42) HTR2ASLC6A4MAPTKMT2A
SCHEMBL740211 0.81 SOS1 (0.44) SOS1HTR2ASLC6A4SMN1; SMN2MEN1
SCHEMBL31181376 0.81 ALDH1A1 (0.45) MAOBAOC3

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-119487006-A Amide compounds as PGE2 receptor antagonists 广东新契生物医药科技有限公司 2025-02-18 CN disclosed