SCHEMBL10190449

SCHEMBL10190449

COc1cc(C)c(-c2ccc(O)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.53
GAA P10253 5/20 0.53
SI P14410 5/20 0.53
MGAM2 Q2M2H8 5/20 0.53
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
BCR P11274 2/20 0.46
ESR2 Q92731 5/20 0.45
ESR1 P03372 3/20 0.45
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CHEK2 O96017 1/20 0.42
FYN P06241 1/20 0.42
ERN1 O75460 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD17B1 P14061 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL15929638 0.84 MGAM (0.53) MGAMGAASIMGAM2ABL1
SCHEMBL10190451 0.84 ESR2 (0.56) GAAABL1ABCB1BCRESR2
SCHEMBL13823639 0.81 ATM (0.46) FYNPDGFRBPDGFRA
SCHEMBL28588012 0.81 ESR2 (0.46) GAAESR2MAOBKDM4E
SCHEMBL879048 0.81 HSD17B2 (0.48) MGAMGAASIMGAM2ESR2
SCHEMBL28204878 0.80 ESR2 (0.52) GAAABL1ABCB1BCRESR2
SCHEMBL15932980 0.78 MGAM (0.67) MGAMGAASIMGAM2ABL1
SCHEMBL15929640 0.78 ACHE (0.59) GAAABL1ABCB1BCRESR2
SCHEMBL17625680 0.78 GAA (0.54) GAAABL1ABCB1BCRESR2
SCHEMBL29929314 0.78 ESR2 (0.54) GAAABL1ABCB1BCRESR2

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-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed