SCHEMBL7427618

SCHEMBL7427618

COCCN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2cccc(OC)c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.40
PYGL P06737 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 4/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
C5AR1 P21730 1/20 0.34
MAPT P10636 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL7420944 0.84 PYGL (0.49) PYGLALDH1A1KDM4E
SCHEMBL7425491 0.72 KDM4E (0.36) PYGLALDH1A1KDM4EADRA1A
SCHEMBL7415758 0.69 ACE (0.36) PYGLKDM4E
SCHEMBL8889889 0.69 ALDH1A1 (0.35) PYGLALDH1A1MEN1KMT2ATSHR
SCHEMBL8891676 0.67 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL8890894 0.66 ALDH1A1 (0.36) PYGLALDH1A1MEN1KMT2ATSHR
SCHEMBL7427520 0.64 PYGL (0.49) PYGLALDH1A1MEN1KMT2AMAPT
SCHEMBL8891397 0.63 SCN9A (0.45) MAPK1ALDH1A1HTR1ATSHRLMNA
SCHEMBL434910 0.62 AADAT (0.55) AADATHTR1AMAPTDRD2
SCHEMBL8890217 0.61 GLA (0.36) ALDH1A1MEN1KMT2ATSHRKDM4E

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
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed