SCHEMBL7782845

SCHEMBL7782845

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.35
ECE1 P42892 1/20 0.35
PIN1 Q13526 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL7782853 1.00 ACE (0.35) ACEECE1PIN1FNTAFNTB
SCHEMBL7780966 0.89 FNTA (0.37) ACEPIN1FNTAFNTB
SCHEMBL7780968 0.89 FNTA (0.37) ACEPIN1FNTAFNTB
SCHEMBL6308761 0.87 PIN1 (0.34) ACEPIN1
SCHEMBL29893883 0.87 PIN1 (0.34) ACEPIN1MME
SCHEMBL6308753 0.87 PIN1 (0.34) ACEPIN1
SCHEMBL6425164 0.86 PIN1 (0.34) ACEPIN1
SCHEMBL4182507 0.86 PIN1 (0.47) ACEPIN1MME
SCHEMBL1666820 0.86 SLC15A2 (0.42) PIN1
SCHEMBL4182503 0.86 PIN1 (0.47) ACEPIN1MME

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