SCHEMBL8217015

SCHEMBL8217015

CCCCCCCC[C@H](CC(=O)OCC(Cl)(Cl)Cl)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
CETP P11597 3/20 0.41
SLC15A1 P46059 1/20 0.41
MBOAT4 Q96T53 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BIRC2 Q13490 1/20 0.41
MMP2 P08253 8/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40

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
SCHEMBL8211421 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8216129 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8220082 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8216132 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8217014 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8211422 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8220075 1.00 ALDH1A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8219637 0.99 SLC15A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8219642 0.99 SLC15A1 (0.42) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL8221381 0.85 ALDH1A1 (0.44) ALDH1A1MEN1HPGDKMT2ACETP

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