SCHEMBL12779356

SCHEMBL12779356

COC(=O)c1ccc(CO/N=C(\c2ccccc2)c2cc(Cl)ccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.48
NR1H2 P55055 1/20 0.42
S1PR1 P21453 3/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
NOTUM Q6P988 1/20 0.40
AR P10275 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12779257 0.89 MRGPRX4 (0.41) MRGPRX4S1PR1RAB9ANPC1LMNA
SCHEMBL12779267 0.88 MRGPRX4 (0.44) MRGPRX4S1PR1RAB9ANPC1SMN1; SMN2
SCHEMBL12779391 0.87 ALDH1A1 (0.41) MRGPRX4S1PR1RAB9ANPC1LMNA
SCHEMBL12779405 0.86 S1PR1 (0.39) MRGPRX4S1PR1RAB9ANPC1SMN1; SMN2
SCHEMBL12779127 0.86 PPARG (0.41) MRGPRX4S1PR1RAB9ANPC1SMN1; SMN2
SCHEMBL12779261 0.85 MRGPRX4 (0.38) MRGPRX4S1PR1RAB9ANPC1LMNA
SCHEMBL12779431 0.84 MRGPRX4 (0.45) MRGPRX4S1PR1RAB9ANPC1NOTUM
SCHEMBL12778493 0.83 ALDH1A1 (0.38) MRGPRX4RAB9ANPC1LMNASMN1; SMN2
SCHEMBL12779299 0.83 MRGPRX4 (0.47) MRGPRX4RAB9ANPC1SMN1; SMN2
SCHEMBL12779393 0.83 MRGPRX4 (0.40) MRGPRX4S1PR1RAB9ANPC1SMN1; SMN2

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-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed