SCHEMBL530131

SCHEMBL530131

CCCc1c(C)ccc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
BCAT2 O15382 1/20 0.40
CXCR5 P32302 1/20 0.38
GCGR P47871 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP4 P15090 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
IKBKB O14920 1/20 0.36
DPP4 P27487 1/20 0.36
PPARG P37231 1/20 0.36
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL4301700 0.93 GCGR (0.43) BRD4BCAT2CXCR5GCGRKDM4E
SCHEMBL4410163 0.88 BCAT2 (0.42) BRD4BCAT2GCGRKDM4EMEN1
SCHEMBL5480865 0.84 KMT2A (0.44) BRD4BCAT2KDM4EMEN1KMT2A
SCHEMBL5479516 0.82 FABP3 (0.41) BCAT2KDM4EMEN1KMT2AFABP4
SCHEMBL4065289 0.80 BCAT2 (0.43) BRD4BCAT2GCGRKDM4EMEN1
SCHEMBL27702319 0.79 NOS2 (0.41) CXCR5KDM4EMEN1KMT2AMKNK1
SCHEMBL5803205 0.78 NOS2 (0.43) CXCR5KDM4EMEN1KMT2AMKNK1
SCHEMBL28471955 0.76 BCAT2 (0.46) BRD4BCAT2KDM4EMEN1KMT2A
SCHEMBL11691857 0.76 FABP4 (0.43) KDM4EFABP4PPARGRXRANR4A2
SCHEMBL981355 0.76 ESR1 (0.43) GCGRKDM4EALDH1A1HPGDGAA

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
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed