SCHEMBL14612293

SCHEMBL14612293

CC(C)(C)c1cc(P)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P)c1O2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL811190 0.81 POLB (0.39) GABBR2GABBR1GABRA1GABRB2
SCHEMBL708899 0.78 GABBR2 (0.36) GABBR2GABBR1GABRA1GABRB2
SCHEMBL21327677 0.78 POLB (0.36) GABBR2GABBR1GABRA1GABRB2
SCHEMBL547487 0.78 ALDH1A1 (0.39) GABBR2GABBR1GABRA1GABRB2
SCHEMBL31462832 0.78 POLB (0.36) GABBR2GABBR1GABRA1GABRB2
SCHEMBL13637245 0.77 GABBR2 (0.33) GABBR2GABBR1
SCHEMBL30367805 0.75 GABBR2 (0.37) GABBR2GABBR1GABRA1GABRB2
SCHEMBL13955178 0.75 GABBR2 (0.34) GABBR2GABBR1
SCHEMBL6504078 0.74 GABBR2 (0.36) GABBR2GABBR1
SCHEMBL4157542 0.74 GABBR2 (0.36) GABBR2GABBR1GABRA1GABRB2

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
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed