SCHEMBL4419656

SCHEMBL4419656

C=CCc1cc(O)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB2 P47870 5/20 0.54
XDH P47989 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX5 P09917 2/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL15549564 0.86 GABRA1 (0.41) GABRA1GABRB2XDHALDH1A1PPARG
SCHEMBL11305609 0.86 ALDH1A1 (0.38) GABRA1GABRB2XDHALDH1A1PPARG
SCHEMBL1514254 0.80 XDH (0.52) GABRA1GABRB2XDHALDH1A1PPARG
SCHEMBL4465266 0.80 XDH (0.52) GABRA1GABRB2XDHALDH1A1PPARG
SCHEMBL5167852 0.76 GABRA1 (0.62) GABRA1GABRB2ALDH1A1HPGDCYP3A4
SCHEMBL12115600 0.76 GABRA1 (0.62) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL23854327 0.75 XDH (0.44) GABRA1GABRB2XDHALDH1A1PPARG
SCHEMBL3512676 0.75 GABRA1 (0.60) GABRA1GABRB2ALDH1A1MEN1GAA
SCHEMBL4420726 0.75 ALDH1A1 (0.48) GABRA1GABRB2XDHALDH1A1PPARG
SCHEMBL29859896 0.75 XDH (0.44) GABRA1GABRB2XDHALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4236031-A FROM 3-ALKYLPHENOLS OR 2,3-DIALKYLPHENOLS CONOCO, INC. (US) 1980-11-25 US claimed
EP-1526169-B1 LUBRICATING OIL COMPOSITION NIPPON OIL CORP (JP) 2013-04-10 EP disclosed
US-7625847-B2 Comprises calcium salicylate and phosphorus compounds; improved anti-wear properties and long drain properties; for internal combustion engines NIPPON OIL CORPORATION (JP) 2009-12-01 US disclosed
US-7612025-B2 Lubricating oil composition NIPPON OIL CORPORATION (JP) 2009-11-03 US disclosed
US-7563752-B2 Lubricating oil compositions NIPPON OIL CORPORATION (JP) 2009-07-21 US disclosed
US-20060270567-A1 Lubricating Oil Composition NIPPON OIL CORPORATION (JP) 2006-11-30 US disclosed
EP-1712606-A1 LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2006-10-18 EP disclosed
US-20050130855-A1 Lubricating oil compositions NIPPON OIL CORPORATION 2005-06-16 US disclosed
US-20050130854-A1 Comprises calcium salicylate and phosphorus compounds; improved anti-wear properties and long drain properties; for internal combustion engines NIPPON OIL CORPORATION 2005-06-16 US disclosed
EP-1526170-A1 LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2005-04-27 EP disclosed
EP-1526169-A1 LUBRICATING OIL COMPOSITION Nippon Oil Corporation (JP) 2005-04-27 EP disclosed
US-3880937-A Process for preparing 3-alkyl-5-t-butylphenols SUMITOMO CHEMICAL CO 1975-04-29 US disclosed
US-3880937-A Process for preparing 3-alkyl-5-t-butylphenols SUMITOMO CHEMICAL CO 1975-04-29 US disclosed