SCHEMBL8416550

SCHEMBL8416550

NC(C(=O)O)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.69
SLC1A3 P43003 2/20 0.56
SLC1A1 P43005 1/20 0.56
PIN1 Q13526 8/20 0.51
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PLAU P00749 1/20 0.46
DEGS1 O15121 1/20 0.46
METAP2 P50579 1/20 0.45

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
SCHEMBL7405698 0.84 NPSR1 (0.56) PIN1
SCHEMBL2915221 0.79 CA2 (0.57) PIN1
SCHEMBL2915220 0.79 CA2 (0.57) PIN1
SCHEMBL23474547 0.77 ALDH1A1 (0.55) PIN1CES2CES1
SCHEMBL8581420 0.77 HPGDS (0.56)
SCHEMBL7397052 0.75 CASP1 (0.61) PIN1
SCHEMBL12984637 0.75 PIN1 (0.70) PIN1
SCHEMBL12984634 0.75 PIN1 (0.70) PIN1
SCHEMBL7765340 0.75 KDM4E (0.53) PIN1CES2CES1NR1H4DEGS1
SCHEMBL7477122 0.74 NPC1 (0.56) PIN1CES2CES1DEGS1

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
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 WO disclosed