SCHEMBL8423501

SCHEMBL8423501

C=CC(=O)NCC(O)CS

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TGM2 P21980 1/20 0.34
LMNA P02545 1/20 0.32

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
SCHEMBL8632003 0.87 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1548741 0.82
SCHEMBL1147912 0.81 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16255465 0.79 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9972366 0.79 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16060 0.79 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9889643 0.78 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL28391003 0.78 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8525778 0.78 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28342820 0.78 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728326-B2 Polymer and methods for preparing and using the same GENERAL ELECTRIC COMPANY (US) 2014-05-20 US disclosed
WO-2012082400-A2 POLYMER AND METHODS FOR PREPARING AND USING THE SAME GENERAL ELECTRIC COMPANY (US) 2012-06-21 WO disclosed
EP-0757060-B1 Process for producing vinyl alcohol polymer KURARAY CO (JP) 1999-10-20 EP disclosed
US-5710211-A REACTION OF POLYMER WITH COMPOUND HAVING A THIOL OR THIOESTER AND HYDROLYSIS TO FORM VINYL ALCOHOL KURARAY CO., LTD. (JP) 1998-01-20 US disclosed
EP-0757060-A2 Process for producing vinyl alcohol polymer KURARAY CO., LTD. (JP) 1997-02-05 EP disclosed