SCHEMBL8218573

SCHEMBL8218573

CCCCCCCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CETP P11597 3/20 0.44
SYK P43405 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MBOAT4 Q96T53 1/20 0.43

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
SCHEMBL8221381 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8221385 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8218572 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8218717 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8218720 1.00 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8218736 0.99 SYK (0.45) ALDH1A1MEN1HPGDKMT2ASYK
SCHEMBL8218735 0.99 SYK (0.45) ALDH1A1MEN1HPGDKMT2ASYK
SCHEMBL18634633 0.91 CA2 (0.47) ALDH1A1SYKCYP3A4TSHRMAPK1
SCHEMBL973865 0.91 CA2 (0.47) ALDH1A1SYKCYP3A4TSHRMAPK1
SCHEMBL7531812 0.90 ALDH1A1 (0.46) ALDH1A1MEN1HPGDKMT2ASYK

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
EP-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed