SCHEMBL15664397

SCHEMBL15664397

COc1ccc(N(c2ccc(C#Cc3ccc(C=C(C#N)C(=O)O)cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.55
SLC16A1 P53985 2/20 0.55
ALDH1A1 P00352 2/20 0.52
CISD1 Q9NZ45 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
GPR35 Q9HC97 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL15664396 1.00 SLC16A3 (0.55) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL7008415 0.90 SLC16A3 (0.57) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL28335121 0.90 SLC16A3 (0.67) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL15664268 0.87 MAPT (0.50) SLC16A3SLC16A1ALDH1A1
SCHEMBL15664267 0.87 MAPT (0.50) SLC16A3SLC16A1ALDH1A1
SCHEMBL11988514 0.87 ALDH1A1 (0.55) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL4968638 0.85 ALDH1A1 (0.65) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL782091 0.85 ALDH1A1 (0.65) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL782092 0.85 ALDH1A1 (0.65) SLC16A3SLC16A1ALDH1A1CISD1KDM4E
SCHEMBL23219386 0.84 MAPT (0.61) SLC16A3SLC16A1ALDH1A1CISD1

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-9691554-B2 Microstructured crystalline device in confined space, a dye-sensitized solar cell, and method of preparation thereof UNIVERSITY OF SOUTH FLORIDA (US) 2017-06-27 US disclosed
US-20160351341-A1 Microstructured Crystalline Device In Confined Space, A Dye-Sensitized Solar Cell, and Method of Preparation Thereof UNIVERSITY OF SOUTH FLORIDA 2016-12-01 US disclosed
US-9443662-B2 Microstructured crystalline device in confined space, a dye-sensitized solar cell, and method of preparation thereof UNIVERSITY OF SOUTH FLORIDA (US) 2016-09-13 US disclosed
US-20140124021-A1 MICROSTRUCTURED CRYSTALLINE DEVICE IN CONFINED SPACE, A DYE-SENSITIZED SOLAR CELL, AND METHOD OF PREPARATION THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-08 US disclosed