SCHEMBL11698337

SCHEMBL11698337

COC(C)(C)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
TTR P02766 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
THRB P10828 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
LCK P06239 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL11700737 0.78 HSD17B10 (0.43) HSD17B10TSHRALDH1A1RECQLCYP2C19
SCHEMBL11696132 0.77 ESR1 (0.46) HSD17B10TSHRTTRALDH1A1CYP3A4
SCHEMBL4457086 0.77 HSD17B10 (0.50) HSD17B10TSHRTTRALDH1A1CYP3A4
SCHEMBL19109 0.77 HSD17B10 (0.52) HSD17B10TSHRTTRALDH1A1CYP3A4
SCHEMBL6321695 0.77 GABRA1 (0.52) HSD17B10TSHRTTRALDH1A1CYP3A4
SCHEMBL45192 0.75 HSD17B10 (0.38) HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL29065613 0.75 GABRA1 (0.50) HSD17B10TSHRTTRALDH1A1CYP3A4
SCHEMBL11702887 0.75 HSD17B10 (0.48) HSD17B10TSHRTTRALDH1A1CYP3A4
SCHEMBL11699630 0.74 CA2 (0.57) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11566429 0.71 ESR1 (0.52) HSD17B10TSHRTTRALDH1A1CYP3A4

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-4045499-A ACID CATALYSTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed