SCHEMBL6006583

SCHEMBL6006583

C=CCOC(C(=O)OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LDHA P00338 1/20 0.36
EPHX2 P34913 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31
SYNJ2 O15056 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ABL1 P00519 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
PABPC1 P11940 1/20 0.31
RECQL P46063 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
SCHEMBL5899092 0.84 CDK1 (0.54) CDK1CCNB1CA2CA9LDHA
SCHEMBL2471895 0.80 CDK1 (0.60) CDK1CCNB1CA2CA9LDHA
SCHEMBL829510 0.79 CDK1 (0.55) CDK1CCNB1CA2CA9LDHA
SCHEMBL55938 0.79 CDK1 (0.57) CDK1CCNB1CA2CA9LDHA
SCHEMBL20511784 0.79 CDK1 (0.57) CDK1CCNB1CA2CA9LDHA
SCHEMBL9329571 0.78 CDK1 (0.52) CDK1CCNB1CA2CA9LDHA
SCHEMBL8589304 0.78 CDK1 (0.49) CDK1CCNB1CA2CA9LDHA
SCHEMBL4268634 0.78 CDK1 (0.56) CDK1CCNB1CA2CA9LDHA
SCHEMBL8909555 0.77 CDK1 (0.55) CDK1CCNB1CA2CA9LDHA
SCHEMBL9621526 0.76 CDK1 (0.56) CDK1CCNB1CA2CA9LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041142-B2 Two step hair coloring compositions delivering deeper, long-lasting color UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-05-09 US disclosed
US-20060075580-A1 TWO STEP HAIR COLORING COMPOSITIONS DELIVERING DEEPER, LONG-LASTING COLOR UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-04-13 US disclosed