SCHEMBL7312090

SCHEMBL7312090

COC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
MAPK1 P28482 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PTPN1 P18031 2/20 0.44
PTGS2 P35354 1/20 0.44
PTPN11 Q06124 1/20 0.44
KDM1A O60341 1/20 0.44
ADAMTS4 O75173 1/20 0.44

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
Hydrochloric Acid SCHEMBL7318933 0.98 TAAR1 (0.49) TAAR1MAPK1MMP8MMP14CA14
SCHEMBL4681333 0.89 KMT2A (0.52) MAPK1KMT2AMAPTL3MBTL1GAA
SCHEMBL4526290 0.89 KMT2A (0.52) MAPK1KMT2AMAPTL3MBTL1GAA
SCHEMBL158072 0.89 KMT2A (0.52) MAPK1KMT2AMAPTL3MBTL1GAA
Hydrochloric Acid SCHEMBL27739077 0.87 KMT2A (0.50) MAPK1KMT2AMAPTL3MBTL1GAA
Hydrochloric Acid SCHEMBL4859605 0.87 KMT2A (0.50) MAPK1KMT2AMAPTL3MBTL1GAA
SCHEMBL515505 0.84 ADAMTS4 (0.56) TAAR1MMP8MMP14CA14L3MBTL1
SCHEMBL6242797 0.84 ADAMTS4 (0.56) TAAR1MMP8MMP14CA14L3MBTL1
SCHEMBL1312515 0.84 ADAMTS4 (0.56) TAAR1MMP8MMP14CA14L3MBTL1
Hydrochloric Acid SCHEMBL8414836 0.83 SMN1; SMN2 (0.49) MAPK1MMP8KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed
EP-0766694-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-04-09 EP disclosed
WO-1995035307-A1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1995-12-28 WO disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed