SCHEMBL3887136

SCHEMBL3887136

Cc1nc2cc(-c3cc(CC(C)C(=O)O)ccc3OCC3CCCC3)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
XDH P47989 3/20 0.39
LIPG Q9Y5X9 2/20 0.38
KMO O15229 2/20 0.38
P2RX3 P56373 1/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MME P08473 1/20 0.36
MMEL1 Q495T6 1/20 0.36

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
SCHEMBL3884531 0.91 MAP4K4 (0.36) XDHKMOP2RX3
SCHEMBL3680931 0.86 S1PR1 (0.49) PDE4BXDHNPC1RAB9A
SCHEMBL3882568 0.83 MDM2 (0.38) XDHP2RX3KEAP1NFE2L2
SCHEMBL3884291 0.83 CYP1A2 (0.40) XDHNPC1RAB9ASMN1; SMN2
SCHEMBL3888367 0.83 PDE4B (0.44) PDE4BXDHKEAP1NFE2L2HCRTR1
SCHEMBL3691485 0.83 S1PR1 (0.41) PDE4BXDHLIPGHCRTR1HCRTR2
SCHEMBL3882409 0.81 PTGER1 (0.42) KEAP1NFE2L2
SCHEMBL3890246 0.80 PTGER1 (0.40) XDHP2RX3KEAP1NFE2L2
SCHEMBL3893373 0.80 AKR1C3 (0.43) XDHKEAP1NFE2L2
SCHEMBL3887479 0.80 HPGD (0.44) KEAP1NFE2L2

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed