SCHEMBL6289874

SCHEMBL6289874

O=C1OC(=O)c2c(S)ccc3cccc1c23

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.62
ALDH1A1 P00352 4/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
MCL1 Q07820 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.37
CYP3A4 P08684 2/20 0.36
PABPC1 P11940 1/20 0.36
DNMT1 P26358 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAPK1 P28482 2/20 0.35

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
SCHEMBL7750777 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL29937612 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL30568054 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL4958874 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL4960179 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL4960210 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL322393 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL7706714 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
SCHEMBL22580735 0.79 TYMS (0.62) TYMSALDH1A1CES2BCHECES1
1,8-Naphthalic Anhydride SCHEMBL29351054 0.78 TYMS (1.00) TYMSALDH1A1CES2BCHECES1

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-6939364-B1 placing tissues in proximity, providing an adhesive with collagen content of 300-800 mg/ml that is gelatinized with thermal energy and derivatized with a carbox group, and exposing to electromagnetic radiation TISSUE ADHESIVE TECHNOLOGIES, INC. (US) 2005-09-06 US disclosed
US-6875427-B1 Light energized tissue adhesive TISSUE ADHESIVE TECHNOLOGIES, INC. (US) 2005-04-05 US disclosed
US-6780840-B1 Method for making a light energized tissue adhesive TISSUE ADHESIVE TECHNOLOGIES, INC. 2004-08-24 US disclosed
US-6773699-B1 Light energized tissue adhesive conformal patch TISSUE ADHESIVE TECHNOLOGIES, INC. 2004-08-10 US disclosed