SCHEMBL19880368

SCHEMBL19880368

C=CCc1cc(C(C)(C)c2cc(CC=C)c(OCC3CO3)c(CC=C)c2)ccc1OC1CCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
PTPN1 P18031 4/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 1/20 0.31
VDR P11473 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
SCHEMBL19224810 0.94 ALDH1A1 (0.45) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL15816190 0.90 ALDH1A1 (0.48) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL15838887 0.90 ALDH1A1 (0.48) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL21579039 0.90 ALDH1A1 (0.42) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL19880409 0.89 ALDH1A1 (0.43) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL15835917 0.86 ALDH1A1 (0.44) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL15838899 0.86 ALDH1A1 (0.44) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL15835657 0.86 ALDH1A1 (0.44) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL15215823 0.85 ALDH1A1 (0.52) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL29361272 0.85 ALDH1A1 (0.52) TSHRTP53ALDH1A1MAPTHPGD

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
US-9896535-B2 Epoxy compound having alkoxysilyl group, method of preparing the same, composition and cured product comprising the same, and uses thereof KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-20 US disclosed