SCHEMBL8747646

SCHEMBL8747646

CC(C)c1cc(CC(=O)Cl)cc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.52
GABRA1 P14867 5/20 0.50
GABRB1 P18505 5/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 2/20 0.46
GABRB2 P47870 2/20 0.45
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
MAPT P10636 1/20 0.42
GLRA1 P23415 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.41

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
SCHEMBL22775344 0.83 EIF4A3 (0.38) GSRGABRA1GABRB1GLRA1
SCHEMBL4323317 0.82 GSR (0.53) GSRGABRA1GABRB1CA1CA2
SCHEMBL11519193 0.81 TRPA1 (0.52) GSRGABRA1GABRB1CA1CA2
SCHEMBL5598871 0.78 HSP90AB1 (0.59) GSRGABRA1GABRB1CA1CA2
SCHEMBL11805089 0.78 GABRA1 (0.56) GABRA1GABRB1CA1CA2GAA
SCHEMBL9311220 0.78 GSR (0.45) GSRGABRA1GABRB1CA1CA2
SCHEMBL22774257 0.76 FABP3 (0.39) GABRA1GAAGABRB2GLRA1ALDH1A1
SCHEMBL10798516 0.76 GSR (0.50) GSRGABRA1GABRB1CA1CA2
SCHEMBL6049696 0.75 GSR (0.59) GSRGABRA1GABRB1CA1CA2
SCHEMBL2467528 0.74 GSR (0.63) GSRGABRA1GABRB1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459950-B1 Stabilisation of dyes on polyamide fibres CIBA GEIGY AG (CH) 1997-03-12 EP disclosed
EP-0438381-B1 Stabilization of dyes on polyamide fibres CIBA GEIGY AG (CH) 1995-04-05 EP disclosed
US-5096456-A Exhaust or continuous dyeing; carpets automotive fabrics, brassiers CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
EP-0459950-A1 Stabilisation of dyes on polyamide fibres CIBA-GEIGY AG (CH) 1991-12-04 EP disclosed
EP-0438381-A1 Stabilization of dyes on polyamide fibres CIBA-GEIGY AG (CH) 1991-07-24 EP disclosed