SCHEMBL8439880

SCHEMBL8439880

COc1ccc(CS[C@H]2C[C@@H](C(N)=O)N(C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
HTRA1 Q92743 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
EPHX1 P07099 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37

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
SCHEMBL8604028 1.00 IDO1 (0.43) IDO1HTRA1ALDH1A1HPGDSIRT2
SCHEMBL7454797 0.89 ALDH1A1 (0.42) IDO1HTRA1ALDH1A1HPGDEPHX1
SCHEMBL8440250 0.89 ALDH1A1 (0.42) IDO1HTRA1ALDH1A1HPGDEPHX1
Hydrochloric Acid SCHEMBL8579092 0.84 HPGD (0.40) IDO1HTRA1ALDH1A1HPGDEPHX1
SCHEMBL8435919 0.83 MAPT (0.50) HTRA1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9202402 0.82 HTRA1 (0.44) IDO1HTRA1ALDH1A1HPGDSIRT2
SCHEMBL8521564 0.80 TP53 (0.43) SMN1; SMN2MAPT
SCHEMBL8521567 0.80 TP53 (0.43) SMN1; SMN2MAPT
SCHEMBL7165527 0.78 HTRA1 (0.45) HTRA1ALDH1A1HPGDEPHX1DPP4
SCHEMBL7143325 0.75 CA12 (0.41) HTRA1ALDH1A1HPGDDPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed