SCHEMBL31346151

SCHEMBL31346151

O=C(O)c1cccc(C2Cc3ccc(C(F)(F)F)cc3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 2/20 0.43
SRD5A2 P31213 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
KMO O15229 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
PTGER4 P35408 2/20 0.39
NR4A2 P43354 1/20 0.39
CES2 O00748 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL31346099 0.91 CFTR (0.49) CFTRALDH1A1FFAR1SRD5A2PTGDR2
SCHEMBL31345978 0.91 CFTR (0.49) CFTRALDH1A1FFAR1SRD5A2PTGDR2
SCHEMBL31345959 0.80 PARP1 (0.51) CFTRFFAR1MRGPRX4CES2
SCHEMBL31346108 0.80 CFTR (0.49) CFTRFFAR1SRD5A2PTGDR2MRGPRX4
SCHEMBL31346170 0.80 CFTR (0.49) CFTRFFAR1SRD5A2PTGDR2MRGPRX4
SCHEMBL31346052 0.79 TDP1 (0.47) CFTRALDH1A1FFAR1MRGPRX4KMO
SCHEMBL31346090 0.78 ALDH1A1 (0.43) CFTRALDH1A1FFAR1SRD5A2PTGDR2
SCHEMBL31346025 0.78 HDAC8 (0.45) CFTRFFAR1
SCHEMBL31346154 0.78 ALDH1A1 (0.49) ALDH1A1FFAR1MRGPRX4KMO
SCHEMBL31346021 0.77 CYP19A1 (0.42) FFAR1PTGDR2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed