SCHEMBL3360491

SCHEMBL3360491

[CH2]CCc1ccc(CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.59
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 3/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
BACE1 P56817 1/20 0.46
CYP4F2 P78329 4/20 0.43
CYP4A11 Q02928 4/20 0.43

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
SCHEMBL40656 0.85 CA2 (0.77) CA2TDP1CA1CA12CA4
SCHEMBL2745550 0.85 GFER (0.42) CA2TDP1KDM4EALDH1A1BACE1
SCHEMBL7520034 0.83 TSHR (0.46) CA2TDP1CA1CA12CA4
SCHEMBL6057959 0.82 CA2 (0.72) CA2TDP1CA1CA12CA4
SCHEMBL577627 0.78 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL503866 0.78 ESR1 (0.68) CA2TDP1KDM4EALDH1A1BACE1
SCHEMBL7719756 0.77 CA2 (0.65) CA2TDP1CA1CA12CA4
SCHEMBL2044945 0.77 CA2 (0.65) CA2TDP1CA1CA12CA4
SCHEMBL40703 0.77 CA2 (0.65) CA2TDP1CA1CA12CA4
SCHEMBL8797551 0.75 ALDH1A1 (0.52) ALDH1A1GAAHRH3

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
EP-2244972-A2 PROCESS FOR PRODUCING CARBON MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-03 EP disclosed
WO-2009101947-A2 PROCESS FOR PRODUCING CARBON MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 WO disclosed