SCHEMBL7982004

SCHEMBL7982004

C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.49
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
REN P00797 1/20 0.44
CMA1 P23946 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTRA1 Q92743 1/20 0.42
CTRB1 P17538 1/20 0.41
TP53 P04637 1/20 0.41
FAP Q12884 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL5264694 0.86 PREP (0.55) PREPALDH1A1NPSR1CTRB1TP53
SCHEMBL10956381 0.83 PREP (0.55) PREPALDH1A1CYP3A4RENCMA1
SCHEMBL4613460 0.81 NPSR1 (0.60) PREPALDH1A1CYP3A4NPSR1CTRB1
SCHEMBL10656619 0.80 PREP (0.55) PREPALDH1A1CYP3A4RENACE
SCHEMBL8417704 0.78 TGM2 (0.51) HTRA1
SCHEMBL11517511 0.76 PREP (0.70) PREPALDH1A1CYP3A4RENCMA1
SCHEMBL7041303 0.76 PREP (0.45) PREPALDH1A1HTRA1
SCHEMBL11515816 0.75 PREP (0.66) PREPALDH1A1CYP3A4RENCMA1
SCHEMBL11517201 0.75 PREP (0.68) PREPALDH1A1CYP3A4RENCMA1
SCHEMBL22811264 0.75 ACE (0.57) PREPFAPLMNAACE

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-6284511-B1 GENERATING MUTANT DNA SEQUENCE LIBRARY; SCREENING JAPAT LIMITED (CH) 2001-09-04 US disclosed
US-6156554-A Heat-stable prolylendopeptidase CIBA GEIGY JAPAN LIMITED (JP) 2000-12-05 US disclosed
EP-0772685-A1 HEAT-STABLE PROLYLENDOPEPTIDASE Ciba-Geigy Japan Limited (JP) 1997-05-14 EP disclosed
WO-1996000293-A1 HEAT-STABLE PROLYLENDOPEPTIDASE JAPAT LTD. (CH) 1996-01-04 WO disclosed