SCHEMBL3890246

SCHEMBL3890246

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3cc(O)ccc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
SRC P12931 6/20 0.39
YES1 P07947 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 1/20 0.38
FFAR1 O14842 2/20 0.38
C5AR1 P21730 1/20 0.38
PPARG P37231 1/20 0.37
XDH P47989 3/20 0.37
P2RX3 P56373 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
SCHEMBL3881996 0.99 KEAP1 (0.40) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3888318 0.97 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3882409 0.91 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3883892 0.90 SRC (0.40) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3882520 0.88 KEAP1 (0.38) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3884439 0.88 C5AR1 (0.42) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3894528 0.87 BRD4 (0.46) SRC
SCHEMBL3882380 0.87 C5AR1 (0.38) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL3882579 0.86 IKBKB (0.40) KEAP1NFE2L2SRCYES1C5AR1
SCHEMBL3894580 0.86 C5AR1 (0.44) KEAP1NFE2L2SRCYES1C5AR1

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