SCHEMBL16628462

SCHEMBL16628462

NC(O)=S.OC(=S)N(c1cccc2c1ccc1ccccc12)c1cccc2c1ccc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.45
SIGMAR1 Q99720 4/20 0.44
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL16628673 0.98 HPRT1 (0.44) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL16628384 0.98 HPRT1 (0.44) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL3069182 0.84 SIGMAR1 (0.53) SIGMAR1ALDH1A1TDP1CYP2A6TSHR
SCHEMBL16628402 0.81 HPRT1 (0.42) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL16628392 0.81 HPRT1 (0.42) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL16628459 0.80 HPRT1 (0.48) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
Potassium Ion SCHEMBL16628672 0.79 HPRT1 (0.47) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL16628382 0.79 HPRT1 (0.47) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL16628391 0.79 HPRT1 (0.47) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6
SCHEMBL16628399 0.79 HPRT1 (0.47) HPRT1SIGMAR1ALDH1A1TDP1CYP2A6

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
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
EP-2860170-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE Osaka Organic Chemical Ind., Ltd. (JP) 2015-04-15 EP disclosed