SCHEMBL21787266

SCHEMBL21787266

CCC(C)C(O)Cc1c(Br)cncc1Br

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL21777867 0.83 ALOX15 (0.33) ALOX15ALOX12
SCHEMBL21777868 0.81 ALOX15 (0.34) ALOX15ALOX12
SCHEMBL22863897 0.74
SCHEMBL21777253 0.69 NPC1 (0.30)
SCHEMBL5516808 0.67 MAPT (0.32)
SCHEMBL21787507 0.67 MAPT (0.32)
SCHEMBL5554079 0.63
SCHEMBL22863861 0.63 ALDH1A1 (0.39)
SCHEMBL21777252 0.63 CYP1A2 (0.37)
SCHEMBL8622111 0.62 TRPA1 (0.71) TRPA1

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-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed