SCHEMBL7617835

SCHEMBL7617835

Cc1cccc2c1C(=C=O)CC=C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL15899337 0.76 CD44 (0.32) CA1CA2CA7CA9
SCHEMBL885315 0.71 CA1 (0.37) CA1CA2
SCHEMBL4854314 0.67 SLC6A2 (0.37) CA1CA2CA7CA9
SCHEMBL11084686 0.66 S100A4 (0.34) CA1CA2CA9
SCHEMBL30461976 0.63 CA1 (0.42) CA1CA2CA7CA9
SCHEMBL28326264 0.62 ALDH1A1 (0.31) CA1CA2
SCHEMBL29720311 0.62 GRIA1 (0.35) CA1CA2CA7CA9
SCHEMBL6032962 0.61 CYP2A6 (0.41) CA1CA2CA7CA9
SCHEMBL28668730 0.61 CYP2A6 (0.36) CA1CA2CA7CA9
SCHEMBL7467869 0.61

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265885-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-12-18 EP claimed
WO-2001070719-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-09-27 WO claimed
EP-1265885-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-12-18 EP disclosed
WO-2001070719-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-09-27 WO disclosed