SCHEMBL7638474

SCHEMBL7638474

CC(C(=O)NC(C)(C(=O)O)C(C)C)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.44
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARA Q07869 1/20 0.38
PRCP P42785 1/20 0.38
ACKR3 P25106 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
P2RX7 Q99572 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL7220058 0.88 FFAR2 (0.44) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL7220927 0.86 FFAR2 (0.40) FFAR2HDAC4HDAC7HDAC5S1PR2
SCHEMBL7638122 0.85 FFAR2 (0.42) FFAR2HDAC4HDAC7HDAC5MEN1
SCHEMBL7215585 0.81 FFAR2 (0.39) FFAR2CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL7216269 0.79 MEN1 (0.38) FFAR2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL8104975 0.79 FFAR2 (0.44) FFAR2HDAC4HDAC7HDAC5PRCP
SCHEMBL7220546 0.78 CYP3A4 (0.39) FFAR2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7219260 0.77 ANO1 (0.42) FFAR2HDAC4HDAC7HDAC5ACKR3
SCHEMBL26955949 0.73 FFAR2 (0.68) FFAR2HDAC4HDAC7HDAC5TRPV1
SCHEMBL8100402 0.72 FFAR2 (0.43) FFAR2HDAC4HDAC7HDAC5MEN1

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
US-6469210-B1 EXCELLENT FUNGICIDAL ACTIVITY IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-22 US disclosed
EP-1092706-A1 PROCESS FOR THE PREPARATION OF PHENYLALKANOIC ACID AMIDES AND INTERMEDIATES THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed