SCHEMBL7780966

SCHEMBL7780966

O=C(CCS)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PIN1 Q13526 3/20 0.36
SLC6A5 Q9Y345 1/20 0.35
ACE P12821 4/20 0.34
EPHX2 P34913 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL7780968 1.00 FNTA (0.37) FNTAFNTBPIN1SLC6A5ACE
SCHEMBL7782853 0.89 ACE (0.35) FNTAFNTBPIN1ACE
SCHEMBL7782845 0.89 ACE (0.35) FNTAFNTBPIN1ACE
SCHEMBL29071836 0.88 PIN1 (0.36) FNTAFNTBPIN1SLC6A5ACE
SCHEMBL2633257 0.88 GNPAT (0.41) PIN1SLC6A5ACE
Carnosine SCHEMBL33768 0.86 ITGB3 (0.41) PIN1SLC6A5ACEITGB3ITGA2B
SCHEMBL4295456 0.86 ITGB3 (0.45) PIN1SLC6A5ACEITGB3ITGA2B
Carnosine SCHEMBL3904964 0.86 ITGB3 (0.41) PIN1SLC6A5ACEITGB3ITGA2B
Carnosine SCHEMBL33769 0.86 ITGB3 (0.41) PIN1SLC6A5ACEITGB3ITGA2B
Carnosine SCHEMBL1161010 0.86 ITGB3 (0.41) PIN1SLC6A5ACEITGB3ITGA2B

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-4233310-A Antiarteriosclerotic N-(mercaptoacyl)-histidines SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-11-11 US claimed
EP-0845505-B1 Spherical colour pigments, process for their preparation and their use DMC2 DEGUSSA METALS CATALYSTS (DE) 2001-10-04 EP disclosed
US-6074754-A MEAN PARTICLE DIAMETER OF LESS THAN 10 MUM, ON THE BASIS OF AN OXIDIC OR SILICATE SUBSTRATE MATERIAL WITH NOBLE METAL DISTRIBUTED EXTREMELY FINELY ON AND/OR IN THE PARTICLES. PREFERRED PIGMENTS ARE PURPLE-COLORED DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
EP-0845505-A2 Spherical colour pigments, process for their preparation and their use Degussa Aktiengesellschaft (DE) 1998-06-03 EP disclosed