SCHEMBL13697241

SCHEMBL13697241

CCOC(=O)CCc1cc(-c2cccs2)sc1-c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
SDHB P21912 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KEAP1 Q14145 1/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37

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
Hydrochloric Acid SCHEMBL6799610 0.76 MAPK14 (0.44) CYP4F2CYP4A11ALDH1A1GAAHSD17B10
SCHEMBL350856 0.76 ALDH1A1 (0.44) HDAC3HDAC1HDAC2SDHBALDH1A1
SCHEMBL6507305 0.70 NPC1 (0.47) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL17803955 0.67 MCL1 (0.44) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL1258879 0.67 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AKDM4EMEN1
SCHEMBL1504839 0.67 ALDH1A1 (0.55) CYP4F2CYP4A11ALDH1A1KMT2AKDM4E
SCHEMBL20146971 0.66 KDM4E (0.42) HDAC1SDHBALDH1A1MAPTKMT2A
SCHEMBL7502430 0.66 MAPT (0.41) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL3411553 0.66 KMT2A (0.49) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL13857515 0.66 FYN (0.37) MAPTKMT2AKDM4EMEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079999-B2 Methods for preparing polymer coatings by electrochemical grafting of polymer brushes, compositions prepared thereby and compositions for preparing the coatings ADVINCULA RIGOBERTO (US) 2015-07-14 US disclosed
US-20090236229-A1 METHODS FOR PREPARING POLYMER COATINGS BY ELECTROCHEMICAL GRAFTING OF POLYMER BRUSHES, COMPOSITIONS PREPARED THEREBY AND COMPOSITIONS FOR PREPARING THE COATINGS THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-09-24 US disclosed