SCHEMBL8071709

SCHEMBL8071709

C=C(OCC)C(C)(C)CC(C)(C)CBr

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 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
SCHEMBL8205710 0.80 ALDH1A1 (0.30) ALDH1A1LMNAHSD17B10
SCHEMBL8204239 0.76 CYP4F2 (0.46) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL800000 0.73 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL8217496 0.71
SCHEMBL17620031 0.70 ALOX15 (0.33) ALDH1A1
SCHEMBL19047429 0.69 ALDH1A1 (0.42) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL10064026 0.69 ALDH1A1 (0.37) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL9498044 0.68
SCHEMBL19023993 0.67
SCHEMBL7710774 0.67 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10

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
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed