SCHEMBL900028

SCHEMBL900028

Cc1ccc2c(c1)C(c1ccc(O)c(C(C)(C)C)c1)(c1ccc(O)c(C(C)(C)C)c1)c1cc(C)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 3/20 0.43
TYR P14679 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ATP2A2 P16615 1/20 0.37

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
SCHEMBL900215 0.84 CA2 (0.48) ALDH1A1ALOX15TYRLMNACYP2C9
SCHEMBL18648071 0.82 TRPA1 (0.52) ESR1ESR2ALDH1A1ALOX15HSD17B10
SCHEMBL820301 0.81 ESR1 (0.64) ESR1ESR2ALDH1A1ALOX15TYR
SCHEMBL29445691 0.81 ESR1 (0.64) ESR1ESR2ALDH1A1ALOX15TYR
SCHEMBL899482 0.81 ESR1 (0.68) ESR1ESR2ALDH1A1ALOX15HSD17B10
SCHEMBL12924695 0.78 ESR1 (0.50) ESR1ESR2ALDH1A1ALOX15HSD17B10
SCHEMBL29359626 0.76 ALDH1A1 (0.64) ALDH1A1ALOX15TYRHSD17B10NR1I2
SCHEMBL270433 0.76 ALDH1A1 (0.64) ALDH1A1ALOX15TYRHSD17B10NR1I2
SCHEMBL13910138 0.76 TNFRSF1A (0.35) ALDH1A1TDP1TSHRPDK2PTGS1
SCHEMBL900305 0.76 ESR1 (0.45) ESR1ESR2LMNAHTTTDP1

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-2012042058-A1 IMPACT RESISTANCE MODIFIERS FOR EPOXY RESIN COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2012-04-05 WO disclosed