SCHEMBL19880397

SCHEMBL19880397

CC(C)(c1ccc(C(C)(C)c2cc(O)c(OCC3CO3)c(O)c2)cc1)c1cc(O)c(COC2CO2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
TP53 P04637 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 2/20 0.31
VDR P11473 1/20 0.30
AR P10275 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL19880357 0.88 ALDH1A1 (0.63) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL17996028 0.85 ALDH1A1 (0.53) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL18009409 0.83 TP53 (0.51) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL19880393 0.82 TP53 (0.50) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL15835600 0.76 TSHR (0.69) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL15838856 0.75 ALDH1A1 (0.63) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL19880341 0.72 ALDH1A1 (0.63) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL15838929 0.72 ALDH1A1 (0.63) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL9502828 0.71 ALDH1A1 (0.61) TSHRTP53HPGDALDH1A1MAPT
SCHEMBL2830269 0.71 ALDH1A1 (0.60) TSHRTP53HPGDALDH1A1MAPT

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