SCHEMBL31345979

SCHEMBL31345979

O=C(O)c1cncc(C2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CFTR P13569 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
HDAC4 P56524 1/20 0.36
AR P10275 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PTGER4 P35408 2/20 0.34
SRD5A2 P31213 1/20 0.34
FFAR1 O14842 2/20 0.33
KDM4C Q9H3R0 1/20 0.33

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 0.84 CFTR (0.49) TDP1PTGS1PTGS2CFTRALDH1A1
SCHEMBL31345978 0.84 CFTR (0.49) TDP1PTGS1PTGS2CFTRALDH1A1
SCHEMBL31346136 0.81 CYP11B1 (0.40) CYP11B1CYP11B2HSD17B10
SCHEMBL31346029 0.78 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL31346066 0.77 TDP1 (0.42) TDP1PTGS1PTGS2CFTRPTGER4
SCHEMBL31346148 0.77 MRGPRX4 (0.41) CYP11B1CYP11B2TDP1PTGS1PTGS2
SCHEMBL31345959 0.76 PARP1 (0.51) CYP11B1CYP11B2CFTRARFFAR1
SCHEMBL31346151 0.74 CFTR (0.49) PTGS1PTGS2CFTRALDH1A1PTGER4
SCHEMBL31346025 0.74 HDAC8 (0.45) CFTRFFAR1
SCHEMBL31345984 0.71 PNMT (0.35) PTGS1PTGS2AR

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