SCHEMBL16257652

SCHEMBL16257652

C=C(C)C(=O)NCCSC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL16257690 0.88 CYP2C19 (0.36) TSHRALDH1A1CYP2C19POLBBLM
SCHEMBL16257705 0.85 KDM4E (0.42) CYP2C19POLBBLMATMKMT2A
SCHEMBL14673955 0.83 TSHR (0.43) TSHRALDH1A1MTNR1AMTNR1BTGFBR1
SCHEMBL16257780 0.81 TSHR (0.35) TSHRALDH1A1CYP2C19POLBBLM
SCHEMBL8015006 0.81 ALDH1A1 (0.61) TSHRALDH1A1MTNR1AMTNR1BTGFBR1
SCHEMBL316224 0.79 TGFBR1 (0.41) TSHRALDH1A1CYP2C19TGFBR1THRB
SCHEMBL1930349 0.78 TSHR (0.65) TSHRALDH1A1CYP2C19POLBBLM
SCHEMBL7754063 0.78 TSHR (0.48) TSHRALDH1A1MTNR1AMTNR1BTGFBR1
SCHEMBL12286077 0.76 TSHR (0.38) TSHRALDH1A1TGFBR1
SCHEMBL12286075 0.76 NPC1 (0.47) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908961-B2 Vinyl alcohol-based graft polymer, method for producing same, and ion-exchange membrane using same KURARAY CO., LTD. (JP) 2018-03-06 US disclosed
US-20180044491-A1 ION-EXCHANGE MEMBRANE KURARAY CO., LTD. (JP) 2018-02-15 US disclosed
US-9611344-B2 Vinyl alcohol polymer, method for producing same, and composition and coating agent containing vinyl alcohol polymer KURARAY CO., LTD. (JP) 2017-04-04 US disclosed
EP-2803681-B1 VINYL ALCOHOL POLYMER AND METHOD FOR PRODUCING SAME, AND COMPOSITION AND COATING AGENT CONTAINING VINYL ALCOHOL POLYMER KURARAY CO (JP) 2017-03-01 EP disclosed
EP-3040350-A1 NOVEL VINYL ALCOHOL BASED COPOLYMER, PRODUCTION METHOD FOR SAME, AND ION EXCHANGE MEMBRANE Kuraray Co., Ltd. (JP) 2016-07-06 EP disclosed
US-20160168346-A1 NOVEL VINYL ALCOHOL BASED COPOLYMER, PRODUCTION METHOD FOR SAME, AND ION EXCHANGE MEMBRANE KURARAY CO., LTD. (JP) 2016-06-16 US disclosed
EP-2930193-A1 VINYL ALCOHOL-BASED GRAFT POLYMER, METHOD FOR PRODUCING SAME, AND ION-EXCHANGE MEMBRANE USING SAME Kuraray Co., Ltd. (JP) 2015-10-14 EP disclosed
US-20150259457-A1 VINYL ALCOHOL-BASED GRAFT POLYMER, METHOD FOR PRODUCING SAME, AND ION-EXCHANGE MEMBRANE USING SAME KURARAY CO., LTD. (JP) 2015-09-17 US disclosed
US-20140350169-A1 VINYL ALCOHOL POLYMER, METHOD FOR PRODUCING SAME, AND COMPOSITION AND COATING AGENT CONTAINING VINYL ALCOHOL POLYMER KURARAY CO., LTD. (JP) 2014-11-27 US disclosed
EP-2803681-A1 VINYL ALCOHOL POLYMER AND METHOD FOR PRODUCING SAME, AND COMPOSITION AND COATING AGENT CONTAINING VINYL ALCOHOL POLYMER Kuraray Co., Ltd. (JP) 2014-11-19 EP disclosed