SCHEMBL2741241

SCHEMBL2741241

COc1cc(C)c(C(C)(C)C)c(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
FASN P49327 1/20 0.38
MAP3K14 Q99558 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL785019 0.85 FASN (0.45) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL25634351 0.82 ACHE (0.38) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL785142 0.81 CYP3A4 (0.40) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL1375037 0.79 CYP3A4 (0.41) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL24811429 0.77 CYP3A4 (0.57) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL392594 0.77 CYP2C9 (0.40) CYP3A4POLBMAPTTDP1TP53
SCHEMBL5589677 0.77 CYP3A4 (0.52) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL784922 0.77 CYP3A4 (0.44) CYP3A4HPGDMAPTLMNATP53
SCHEMBL1144365 0.76 CYP3A4 (0.52) CYP3A4HPGDPOLBMAPTLMNA
SCHEMBL21002138 0.75 CYP3A4 (0.50) CYP3A4HPGDPOLBMAPTLMNA

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
US-9523060-B2 Lubricant oil compositions POLNOX CORPORATION (US) 2016-12-20 US disclosed
US-20150159109-A1 Lubricant Oil Compositions POLNOX CORPORATION 2015-06-11 US disclosed
US-8927472-B2 Lubricant oil compositions POLNOX CORPORATION (US) 2015-01-06 US disclosed
US-20130130955-A1 LUBRICANT OIL COMPOSITIONS POLNOX CORPORATION (US) 2013-05-23 US disclosed
US-20120004150-A1 Lubricant Oil Compositions POLNOX CORPORATION 2012-01-05 US disclosed