SCHEMBL6532058

SCHEMBL6532058

CC(N)(Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.69
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
EGFR P00533 1/20 0.58
CYP1A2 P05177 1/20 0.58
FYN P06241 1/20 0.58
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
APEX1 P27695 1/20 0.58
ADRA1A P35348 1/20 0.58
PTGS2 P35354 1/20 0.58
MTOR P42345 1/20 0.58
RECQL P46063 1/20 0.58
CASP6 P55212 1/20 0.58

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
SCHEMBL14037306 1.00 BLM (0.69) BLMGAAALDH1A1HPGDKDM4E
SCHEMBL122295 0.89 BLM (0.72) BLMGAAALDH1A1HPGDKDM4E
SCHEMBL202327 0.89 BLM (0.72) BLMGAAALDH1A1HPGDKDM4E
SCHEMBL122296 0.89 BLM (0.72) BLMGAAALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL4331797 0.87 BLM (0.70) BLMGAAALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL22462476 0.87 BLM (0.70) BLMGAAALDH1A1HPGDKDM4E
Water SCHEMBL11329765 0.87 BLM (0.70) BLMGAAALDH1A1HPGDKDM4E
Water SCHEMBL11327784 0.87 BLM (0.70) BLMGAAALDH1A1HPGDKDM4E
SCHEMBL27449572 0.82 BLM (0.59) BLMGAAALDH1A1HPGDKDM4E
Racemetyrosine SCHEMBL61871 0.81 BLM (1.00) BLMGAAALDH1A1HPGDKDM4E

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
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed