SCHEMBL31346170

SCHEMBL31346170

O=C(O)c1cccc(C2CCCc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.49
FFAR1 O14842 3/20 0.46
PTGER4 P35408 3/20 0.43
KMO O15229 1/20 0.42
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
SRD5A2 P31213 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL31346108 1.00 CFTR (0.49) CFTRFFAR1PTGER4KMOCCR2
SCHEMBL31346067 0.88 FFAR1 (0.43) CFTRFFAR1PTGER4MRGPRX4TAS1R3
SCHEMBL31346099 0.86 CFTR (0.49) CFTRFFAR1PTGER4KMOCCR2
SCHEMBL31345978 0.86 CFTR (0.49) CFTRFFAR1PTGER4KMOCCR2
SCHEMBL31346151 0.80 CFTR (0.49) CFTRFFAR1PTGER4KMOCCR2
SCHEMBL31346164 0.78 CCR2 (0.49) CFTRFFAR1PTGER4KMOCCR2
SCHEMBL31345966 0.78 CCR2 (0.49) CFTRFFAR1PTGER4KMOCCR2
SCHEMBL31345959 0.76 PARP1 (0.51) CFTRFFAR1MRGPRX4
SCHEMBL31346052 0.75 TDP1 (0.47) CFTRFFAR1KMOMRGPRX4
SCHEMBL31346025 0.75 HDAC8 (0.45) CFTRFFAR1

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