SCHEMBL27451850

SCHEMBL27451850

C=COCC1=CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
MGMT P16455 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 2/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CXCR3 P49682 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.31

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
SCHEMBL28814389 0.98 CXCR3 (0.36) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL827157 0.80 ALDH1A1 (0.39) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1050390 0.77
SCHEMBL1145857 0.77
SCHEMBL9414387 0.76 ALDH1A1 (0.40) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1146107 0.75 PKM (0.40) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1144194 0.75 PKM (0.40) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1054489 0.75 CXCR3 (0.42) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1051261 0.75 CXCR3 (0.42) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL1054487 0.75 CXCR3 (0.42) CDK1CCNB1MGMTCCNA2CDK2

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
CN-1053070-A The cocatalyst composition that is used for alpha-olefine polymerizing SOLVAY (BE) 1991-07-17 CN disclosed