SCHEMBL7316837

SCHEMBL7316837

COC(=O)[C@H](C)N(C(=O)C(CSC(C)=O)Cc1cccc(OC)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
F10 P00742 7/20 0.42
PRSS1 P07477 6/20 0.42
F2 P00734 5/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
RARG P13631 1/20 0.41
CNR1 P21554 1/20 0.41
OPRK1 P41145 1/20 0.41
NR1H2 P55055 1/20 0.41

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 0.83 F10 (0.42) F10PRSS1F2CYP1A2CYP3A4
SCHEMBL7333955 0.83 F10 (0.42) F10PRSS1F2CYP1A2CYP3A4
SCHEMBL7311130 0.83 F10 (0.42) F10PRSS1F2CYP1A2CYP3A4
SCHEMBL7311243 0.83 F10 (0.42) F10PRSS1F2CYP1A2CYP3A4
SCHEMBL7321606 0.80 PTGES (0.47) PTGESALOX5GPR139HSD17B2ALDH1A1
SCHEMBL7319260 0.80 F10 (0.41) F10PRSS1F2ALDH1A1
SCHEMBL7319399 0.77 F10 (0.42) F10PRSS1F2
SCHEMBL7343898 0.77 PPARA (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7314595 0.74 PPARA (0.44) F10PRSS1F2CYP1A2CYP3A4
SCHEMBL7311722 0.73 ALDH1A1 (0.36) F10PRSS1F2POLBALDH1A1

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-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-5866604-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON GROUP S.P.A. (IT) 1999-02-02 US disclosed