SCHEMBL4787535

SCHEMBL4787535

C=CCOC(=O)c1sc(C(=O)OCC=C)c(O)c1O.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SNCA P37840 1/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
RHOA P61586 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 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
SCHEMBL4863291 0.76 CYP3A4 (0.51) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL7631407 0.72 CYP3A4 (0.59) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL4863286 0.72 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
Lithium SCHEMBL7065338 0.69 GAA (0.55) ALDH1A1HSD17B10TSHRKDM4ESMN1; SMN2
SCHEMBL18984964 0.68 CYP3A4 (0.59) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL39875 0.68 SERPINE1 (0.63) CYP3A4KDM4ELMNAGAAPOLB
SCHEMBL1920792 0.68 SNCA (0.58) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL10779321 0.67 CYP3A4 (0.53) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL20183947 0.67 CYP3A4 (0.53) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL209680 0.67 CYP3A4 (0.70) CYP3A4ALDH1A1HSD17B10TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140159-A1 PROCESS FOR PREPARING ORGANIC SILICON MONOMER SEHYUN C.M.T. CO., LTD. (KR) 2008-11-20 WO disclosed