SCHEMBL31346166

SCHEMBL31346166

O=C(O)c1cccc(C2Cc3cc(OC(F)(F)F)ccc3O2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AR P10275 2/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
STS P08842 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CFTR P13569 3/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
KAT6A Q92794 1/20 0.39

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
SCHEMBL31345978 0.83 CFTR (0.49) MRGPRX4FFAR1PTGS1PTGS2ALDH1A1
SCHEMBL31346099 0.83 CFTR (0.49) MRGPRX4FFAR1PTGS1PTGS2ALDH1A1
SCHEMBL31346017 0.82 ALDH1A1 (0.41) MRGPRX4FFAR1PTGS1PTGS2ALDH1A1
SCHEMBL31346172 0.79 ALDH1A1 (0.48) FFAR1ALDH1A1ARTDP1MEN1
SCHEMBL31346052 0.78 TDP1 (0.47) MRGPRX4FFAR1ALDH1A1ARABCB1
SCHEMBL31345982 0.77 ALDH1A1 (0.44) MRGPRX4FFAR1ALDH1A1ARTDP1
SCHEMBL31346151 0.76 CFTR (0.49) MRGPRX4FFAR1PTGS1PTGS2ALDH1A1
SCHEMBL31346163 0.76 TDP1 (0.47) MRGPRX4FFAR1ALDH1A1ARABCB1
SCHEMBL31346154 0.75 ALDH1A1 (0.49) MRGPRX4FFAR1ALDH1A1ARTDP1
SCHEMBL31345983 0.74 ALDH1A1 (0.45) MRGPRX4FFAR1ALDH1A1ARTDP1

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