SCHEMBL17827256

SCHEMBL17827256

c1ccc2c(OCC3CO3)c3ccccc3c(OCC3CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RIPK1 Q13546 1/20 0.37
HTR2C P28335 2/20 0.37
CXCR5 P32302 1/20 0.36

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
SCHEMBL1715058 0.91 TDP1 (0.62) TDP1ALDH1A1GLATSHRTP53
Methane SCHEMBL21633948 0.84 TDP1 (0.58) TDP1ALDH1A1GLATSHRTP53
SCHEMBL14655761 0.83 ALDH1A1 (0.57) TDP1ALDH1A1GLATSHRTP53
SCHEMBL17019518 0.83 TDP1 (0.53) TDP1ALDH1A1GLATSHRTP53
SCHEMBL10804031 0.82 ALDH1A1 (0.66) TDP1ALDH1A1GLATSHRTP53
SCHEMBL10803090 0.82 ALDH1A1 (0.66) TDP1ALDH1A1GLATSHRTP53
SCHEMBL10805428 0.82 ALDH1A1 (0.66) TDP1ALDH1A1GLATSHRTP53
SCHEMBL14655785 0.81 ALDH1A1 (0.56) TDP1ALDH1A1GLATSHRTP53
SCHEMBL16557207 0.81 ALDH1A1 (0.56) TDP1ALDH1A1GLATSHRTP53
SCHEMBL23271762 0.81 ALDH1A1 (0.59) TDP1ALDH1A1GLATSHRTP53

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-9884959-B2 Epoxy-based resin composition for composite materials CYTEC INDUSTRIES INC. (US) 2018-02-06 US disclosed
US-20160168372-A1 EPOXY-BASED RESIN COMPOSITION FOR COMPOSITE MATERIALS CYTEC INDUSTRIES INC. (US) 2016-06-16 US disclosed