SCHEMBL11768752

SCHEMBL11768752

O=C(O)c1cc(OCC(=O)c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
NR4A2 P43354 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
ENPP2 Q13822 1/20 0.45
SRD5A2 P31213 1/20 0.44
LMNA P02545 1/20 0.43
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11771660 0.85 MRGPRX4 (0.41) MRGPRX4NR4A2KMT2AMEN1ENPP2
SCHEMBL850085 0.82 MEN1 (0.72) MRGPRX4NR4A2KMT2AMEN1SRD5A2
SCHEMBL29207020 0.81 GRM4 (0.62) MRGPRX4KMT2AMEN1MAPTNPC1
SCHEMBL29434530 0.79 MRGPRX4 (0.47) MRGPRX4NR4A2KMT2AMEN1MAPT
SCHEMBL22530375 0.79 MRGPRX4 (0.47) MRGPRX4NR4A2KMT2AMEN1MAPT
SCHEMBL25183205 0.79 MRGPRX4 (0.45) MRGPRX4NR4A2KMT2AMEN1ENPP2
SCHEMBL11773503 0.78 KMT2A (0.57) MRGPRX4KMT2AMEN1MAPTNPC1
SCHEMBL5839185 0.77 NR4A2 (0.66) MRGPRX4NR4A2KMT2AMEN1MAPT
SCHEMBL13699188 0.76 PLA2G2A (0.53) MRGPRX4NR4A2KMT2AMEN1
SCHEMBL25173367 0.75 MRGPRX4 (0.44) MRGPRX4NR4A2KMT2AMEN1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 US disclosed