SCHEMBL8519403

SCHEMBL8519403

CCc1ccc(CC)c2c1OBO2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 2/20 0.37
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33

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
SCHEMBL8520071 0.78 GABRA1 (0.40) GABRA1GABRB2
SCHEMBL8519451 0.77
SCHEMBL13082449 0.70 CTRC (0.38) CTRCGABRA1GABRB2
SCHEMBL13082454 0.70 CTRC (0.34) CTRCGABRA1GABRB2
SCHEMBL15896713 0.62 NQO2 (0.34) CTRC
SCHEMBL166573 0.61 GABRA1 (0.41) CTRCGABRA1GABRB2
SCHEMBL29619533 0.61 GABRA1 (0.41) CTRCGABRA1GABRB2
SCHEMBL28184235 0.61 GABRA1 (0.41) CTRCGABRA1GABRB2
SCHEMBL10916725 0.61 HSD17B1 (0.45) CTRCGABRA1GABRB2
SCHEMBL14040993 0.61 MTNR1A (0.33) CTRC

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-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed