SCHEMBL7314595

SCHEMBL7314595

C[C@@H](C(=O)OCc1ccccc1)N(C(=O)C(CSC(=O)c1ccccc1)Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCC3 O15438 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
RARG P13631 1/20 0.44
CNR1 P21554 1/20 0.44
OPRK1 P41145 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
NR1I3 Q14994 1/20 0.44
ACE P12821 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GPR88 Q9GZN0 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
SCHEMBL7341475 0.91 F10 (0.42) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7311243 0.91 F10 (0.42) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7311130 0.91 F10 (0.42) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7333955 0.91 F10 (0.42) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7319260 0.84 F10 (0.41) ACEALDH1A1MMEF10PRSS1
SCHEMBL7319399 0.82 F10 (0.42) F10PRSS1CTSBCTSLCTSK
SCHEMBL7311722 0.78 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AF10PRSS1
SCHEMBL6211555 0.76 LMNA (0.41) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6211559 0.76 LMNA (0.41) PPARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7322605 0.76 F10 (0.35) ALDH1A1MAPTNPC1RAB9AF10

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
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US claimed
EP-0805817-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2001-08-16 EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed
US-5866604-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON GROUP S.P.A. (IT) 1999-02-02 US disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed
EP-0805817-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-11-12 EP disclosed
WO-1996022998-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-08-01 WO disclosed