SCHEMBL15979586

SCHEMBL15979586

[2H]Oc1c(C)cccc1Cc1cccc(CC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.59
GABRB2 P47870 4/20 0.59
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
SHBG P04278 1/20 0.35
PTGS2 P35354 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL12856364 0.89 GABRA1 (0.68) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL13839296 0.89 GABRA1 (0.68) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL9824952 0.83 GABRA1 (0.77) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL921881 0.83 GABRA1 (0.85) GABRA1GABRB2
SCHEMBL17666370 0.81 ALDH1A1 (0.59) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL263474 0.81 GABRA1 (0.73) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL31229333 0.81 GABRA1 (0.73) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL68936 0.79 ALDH1A1 (0.62) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL199730 0.77 GABRA1 (1.00) GABRA1GABRB2CA2
SCHEMBL25975547 0.76 GABRA1 (0.71) GABRA1GABRB2ALDH1A1

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-20140242520-A1 I-LINE PHOTORESIST COMPOSITION AND METHOD FOR FORMING FINE PATTERN USING SAME DONGJIN SEMICHEM CO., LTD. (KR) 2014-08-28 US disclosed