SCHEMBL7631503

SCHEMBL7631503

CCc1ccccc1B(c1ccccc1CC)c1ccccc1CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
LIPG Q9Y5X9 1/20 0.42
MGLL Q99685 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL410387 0.82 LIPG (0.61) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL29468961 0.82 LIPG (0.61) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL12419301 0.82 GABRA1 (0.42) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL188466 0.80 GABRA1 (0.41) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL23865072 0.78 GABRA1 (0.39) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL29390847 0.76 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTTP53
SCHEMBL36294 0.76 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTTP53
SCHEMBL25425763 0.76 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTTP53
SCHEMBL28980697 0.75 L3MBTL1 (0.40) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL1033317 0.74 LIPG (0.33) LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4312967-A CHROMIUM OXIDE ON TITANIUM-CONTAINING SILICA SUPPORT IN COMBINATION WITH ORGANOBORON PROMOTER PHILLIPS PETROLEUM CO. (US) 1982-01-26 US claimed
US-6465586-B2 FOR ALPHA-OLEFINS; CHROMIUM OXIDE ON CATALYST SUPPORT MCDANIEL MAX P (US) 2002-10-15 US disclosed
US-20020013432-A1 POLYMERIZATION CATALYST AND PROCESS MCDANIEL MAX P (US) 2002-01-31 US disclosed
US-4312967-A CHROMIUM OXIDE ON TITANIUM-CONTAINING SILICA SUPPORT IN COMBINATION WITH ORGANOBORON PROMOTER PHILLIPS PETROLEUM CO. (US) 1982-01-26 US disclosed
EP-0035124-A1 Polymerization catalyst and polymerization process PHILLIPS PETROLEUM COMPANY (US) 1981-09-09 EP disclosed
US-3947433-A ORGANOBORON COMPOUND, HYDROCARBYL ALUMINUM HYDROCARBYL OXIDE PHILLIPS PETROLEUM COMPANY (US) 1976-03-30 US disclosed