SCHEMBL2836770

SCHEMBL2836770

CCC(Oc1ccc(-c2ccc(OC(CC)C3CO3)cc2)cc1)C1CO1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 2/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TP53 P04637 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2719722 1.00 MAPT (0.35) MAPTCYP17A1CYP1A2GAACYP2C9
SCHEMBL2827735 0.86 PPARA (0.36) PPARG
SCHEMBL6021886 0.86 TDP1 (0.42) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL2720634 0.83 DRD2 (0.40) CYP2C9TSHR
SCHEMBL11967015 0.81 LMNA (0.48) MAPTGAAHPGDALDH1A1PPARG
SCHEMBL7179795 0.81 MAPT (0.34) MAPTCYP17A1CYP1A2GAACYP2C9
SCHEMBL12787240 0.77 PARP15 (0.40) MAPTCYP1A2MEN1KMT2ATP53
SCHEMBL2831238 0.76 CYP1A2 (0.38) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL2905142 0.74 GHSR (0.33) CYP1A2CYP2C9CYP2C19TSHRPPARG
SCHEMBL2829773 0.73 MCHR1 (0.33) HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed