SCHEMBL11208550

SCHEMBL11208550

CC(C)c1cccc(C(C)(C)CCl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.53
GABRB2 P47870 5/20 0.53
GABRB1 P18505 3/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
CA2 P00918 2/20 0.53
CYP3A4 P08684 2/20 0.53
FAAH O00519 1/20 0.53
CA1 P00915 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
HTR2B P41595 1/20 0.53
GABRA2 P47869 1/20 0.53

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
SCHEMBL56957 0.80 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRG2GABRB3
SCHEMBL7745836 0.80 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRG2GABRB3
SCHEMBL13640241 0.75 GABRA1 (0.57) GABRA1GABRB2GABRB1GABRG2GABRB3
SCHEMBL4912818 0.74 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRG2GABRB3
SCHEMBL13583692 0.74 GABRA1 (0.55) GABRA1GABRB2GABRB1GABRG2GABRB3
SCHEMBL10775084 0.72 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRG2GABRB3
Propofol SCHEMBL36245 0.72 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRG2GABRB3
Propofol SCHEMBL2414429 0.72 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRG2GABRB3
SCHEMBL4912333 0.71 GABRA1 (0.57) GABRA1GABRB2GABRB1GABRG2GABRB3
Propofol SCHEMBL9016525 0.71 GABRA1 (0.85) GABRA1GABRB2GABRB1GABRG2GABRB3

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-0005053-B1 FLAME-RETARDANT ORGANIC PHOSPHATES, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM FMC Corporation (US) 1983-05-25 EP disclosed
EP-0012340-B1 SELF-EXTINGUISHING THERMOPLASTIC MOULDING COMPOSITIONS AND SHAPED ARTICLES MADE THEREFROM BASF Aktiengesellschaft (DE) 1983-03-16 EP disclosed
US-4246169-A Flammable plastics containing a flame retardant amount of polyarylphosphates and the polyarylphosphates FMC CORPORATION (US) 1981-01-20 US disclosed
EP-0012340-A1 Self-extinguishing thermoplastic moulding compositions and shaped articles made therefrom BASF Aktiengesellschaft (DE) 1980-06-25 EP disclosed
EP-0005053-A2 Flame-retardant organic phosphates, their production, and compositions containing them FMC Corporation (US) 1979-10-31 EP disclosed