SCHEMBL31602

SCHEMBL31602

Bc1ccc(OCC(C)C)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.52
SLC22A12 Q96S37 1/20 0.52
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
BLVRB P30043 1/20 0.46
TARBP2 Q15633 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL31573 0.83 XDH (0.69) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL2344031 0.82 XDH (0.53) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL31019133 0.82 XDH (0.53) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL13182575 0.82 XDH (0.53) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL301279 0.81 XDH (0.52) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL31571 0.81 AAK1 (0.57) XDHSLC22A12
SCHEMBL6052309 0.81 ALDH1A1 (0.63) XDHSLC22A12
SCHEMBL13193178 0.80 XDH (0.49) XDH
Hydrochloric Acid SCHEMBL7861742 0.79 ALDH1A1 (0.66) XDHSLC22A12
SCHEMBL31574 0.78 XDH (0.50) XDHSLC22A12ABCC4ABCB11PGR

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
WO-2013050996-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS MAPI PHARMA LTD. (IL) 2013-04-11 WO disclosed
WO-2012026565-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND 帝人ファーマ株式会社 (JP) 2012-03-01 WO disclosed
WO-2010098428-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST 帝人ファーマ株式会社 (JP) 2010-09-02 WO disclosed