SCHEMBL31346017

SCHEMBL31346017

O=C(O)c1cccc(C2Cc3cc(OC(F)(F)F)c(Cl)cc3O2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MRGPRX4 Q96LA9 6/20 0.37
FFAR1 O14842 2/20 0.37
KMO O15229 1/20 0.36
CFTR P13569 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LTA4H P09960 1/20 0.33
PARP1 P09874 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PYGL P06737 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL31346154 0.84 ALDH1A1 (0.49) ALDH1A1MRGPRX4FFAR1KMOTDP1
SCHEMBL31346166 0.82 MRGPRX4 (0.45) ALDH1A1MRGPRX4FFAR1CFTRAKR1C3
SCHEMBL31345983 0.80 ALDH1A1 (0.45) ALDH1A1MRGPRX4FFAR1KMOCFTR
SCHEMBL31346172 0.76 ALDH1A1 (0.48) ALDH1A1FFAR1KMOTDP1PARP1
SCHEMBL31346099 0.76 CFTR (0.49) ALDH1A1MRGPRX4FFAR1KMOCFTR
SCHEMBL31345978 0.76 CFTR (0.49) ALDH1A1MRGPRX4FFAR1KMOCFTR
SCHEMBL31346151 0.76 CFTR (0.49) ALDH1A1MRGPRX4FFAR1KMOCFTR
SCHEMBL31346090 0.73 ALDH1A1 (0.43) ALDH1A1MRGPRX4FFAR1KMOCFTR
SCHEMBL31346052 0.71 TDP1 (0.47) ALDH1A1MRGPRX4FFAR1KMOCFTR
SCHEMBL31345982 0.70 ALDH1A1 (0.44) ALDH1A1MRGPRX4FFAR1KMOCFTR

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