SCHEMBL2944409

SCHEMBL2944409

Cn1ncc2cc(-c3cc(CCC(=O)O)cc([N+](=O)[O-])c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
TRPA1 O75762 1/20 0.36
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
CREBBP Q92793 2/20 0.35
PDE1C Q14123 2/20 0.34
BRD4 O60885 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
GAA P10253 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PRMT5 O14744 1/20 0.33
PKM P14618 1/20 0.33
FAAH O00519 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL2944414 1.00 AR (0.39) ARTRPA1CCNCCDK8CREBBP
SCHEMBL924546 0.92 AR (0.38) ARTRPA1CCNCCDK8CREBBP
SCHEMBL3883989 0.91 RAD51 (0.36) FFAR4SLC16A3SLC16A1
SCHEMBL3883995 0.91 RAD51 (0.36) FFAR4SLC16A3SLC16A1
SCHEMBL3881638 0.88 AR (0.42) ARTRPA1CCNCCDK8CREBBP
SCHEMBL3888703 0.87 FFAR4 (0.37) ARCCNCCDK8CREBBPBRD4
SCHEMBL3888709 0.87 FFAR4 (0.37) ARCCNCCDK8CREBBPBRD4
SCHEMBL3887872 0.87 AR (0.41) ARTRPA1CCNCCDK8CREBBP
Ak-106 SCHEMBL924434 0.87 AR (0.43) ARTRPA1CCNCCDK8CREBBP
Ak-106 SCHEMBL29359236 0.87 AR (0.43) ARTRPA1CCNCCDK8CREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754752-B2 Crystals of substituted phenylalkanoic acid and method of producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-07-13 US disclosed
US-20090312386-A1 NOVEL CRYSTALS OF SUBSTITUTED PHENYLALKANOIC ACID AND METHOD OF PRODUCING THE SAME ARIMOTO YUICHI 2009-12-17 US disclosed
US-7560478-B2 Crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-14 US disclosed