SCHEMBL6289873

SCHEMBL6289873

O=C1OC(=O)c2c1c(S)cc1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.40
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
DNMT1 P26358 1/20 0.35
GAA P10253 1/20 0.35
NQO1 P15559 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9038314 0.77 POLB (0.43) CES1ALOX5PTGESKDM4EMEN1
SCHEMBL3967192 0.77 ALDH1A1 (0.40) CES1ALOX5PTGESKDM4EMEN1
SCHEMBL4957625 0.77 AHR (0.42) CES1ALOX5PTGESKDM4EMEN1
SCHEMBL4961115 0.77 CES1 (0.40) CES1ALOX5PTGESKDM4EMEN1
SCHEMBL8735650 0.77 CYP1A2 (0.44) CES1ALOX5PTGESKDM4EMEN1
SCHEMBL600270 0.77 TRPM4 (0.50) CES1ALOX5KDM4EMEN1KMT2A
SCHEMBL4960932 0.77 TYMS (0.40) CES1ALOX5PTGESKDM4EMEN1
SCHEMBL5998049 0.74 GPR84 (0.55) ALOX5PTGESKDM4EMEN1KMT2A
SCHEMBL11463067 0.73 GPR84 (0.54) CES1ALOX5KDM4EMEN1KMT2A
SCHEMBL5795357 0.73 WDR5 (0.53) KDM4EMEN1KMT2AALDH1A1HSD17B10

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