SCHEMBL6151944

SCHEMBL6151944

CCc1cc(C)c(O)cc1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
G6PD P11413 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR6 P51684 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 6/20 0.41
ESR2 Q92731 5/20 0.41

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
SCHEMBL6568054 0.93 ALOX15 (0.47) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL30979259 0.87 ALOX15 (0.45) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL16122784 0.87 ALOX15 (0.45) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL9231605 0.87 KDM4E (0.50) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL11076422 0.87 NPSR1 (0.50) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL69992 0.87 SHBG (0.47) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL19765492 0.85 ALOX15 (0.54) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL19765525 0.85 ALOX15 (0.48) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL5676149 0.83 ALOX15 (0.68) ALOX15ALOX12KDM4EALDH1A1MAPT
SCHEMBL45886 0.82 MCL1 (0.47) ALOX15ALOX12KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100554515-C Novel multi-purpose rust preventative and permeate agent AFTON CHEMICAL CORP (US) 2009-10-28 CN disclosed
EP-1605033-A1 Novel multi-purpose rust preventative and penetrant Afton Chemical Corporation (US) 2005-12-14 EP disclosed
CN-1706987-A Novel multi-purpose rust preventative and penetrant AFTON CHEMICAL CORP (US) 2005-12-14 CN disclosed
US-20050272614-A1 Novel multi-purpose rust preventative and penetrant AFTON CHEMICAL CORPORATION 2005-12-08 US disclosed