SCHEMBL5831996

SCHEMBL5831996

C=CCSC(=O)c1ccc(CC=C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
XDH P47989 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH2 P05091 1/20 0.38
GAA P10253 1/20 0.38
GABRA1 P14867 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL8423601 0.79 AKT1 (0.47) MAPK1SMN1; SMN2ALDH1A1CYP3A4ALOX15
SCHEMBL1081804 0.77 CYP1A2 (0.47) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL10524160 0.77 CYP1A2 (0.47) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL714706 0.75 ALDH1A1 (0.54) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL14691493 0.73 ALDH1A1 (0.52) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL1516427 0.73 PLA2G10 (0.52) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
Bicarbonate SCHEMBL9222817 0.73 ALDH1A1 (0.52) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL195563 0.73 KMT2A (0.59) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL2161480 0.73 CYP1A2 (0.45) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2
SCHEMBL3031147 0.73 CYP1A2 (0.45) CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081503-B2 Process producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition KANEKA CORPORATION (JP) 2006-07-25 US disclosed
US-7009004-B2 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2006-03-07 US disclosed
US-20060004171-A1 Process for producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition TSUJI RYOTARO 2006-01-05 US disclosed
US-20050004318-A1 Curable composition OHSHIRO NOBUAKI (JP) 2005-01-06 US disclosed
EP-1452550-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-09-01 EP disclosed
US-20040097678-A1 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2004-05-20 US disclosed
EP-1375531-A1 PROCESS FOR PRODUCING VINYL POLYMER HAVING ALKENYL GROUP AT END, VINYL POLYMER, AND CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-01-02 EP disclosed