SCHEMBL9188597

SCHEMBL9188597

C=C(C)c1cccc(N=C=O)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 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
SCHEMBL11785534 0.81 CYP3A4 (0.59) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL9051530 0.80 CYP3A4 (0.48) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL9585916 0.79 CYP3A4 (0.48) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL4935799 0.78 CYP3A4 (0.47) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL28151572 0.75 CYP3A4 (0.57) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL471856 0.75 CYP3A4 (0.52) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL28588773 0.74 CYP3A4 (0.55) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL112207 0.73 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL5574050 0.71 GABRA1 (0.45) CYP3A4GABRA1GABRB2
SCHEMBL11443931 0.71 GABRA1 (0.39) CYP3A4GABRA1GABRB2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472081-B1 Carbonic acid groups containing copolymers, their preparation and their use as a thickener HOECHST AG (DE) 1995-11-08 EP claimed
US-5109091-A COPOLYMERS CONTAINING CARBOXYL GROUPS, THEIR PREPARATION, AND THEIR USE AS THICKENERS HOECHST AG (DE) 1992-04-28 US claimed
US-5109091-A COPOLYMERS CONTAINING CARBOXYL GROUPS, THEIR PREPARATION, AND THEIR USE AS THICKENERS HOECHST AG (DE) 1992-04-28 US disclosed