SCHEMBL17539835

SCHEMBL17539835

CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GGPS1 O95749 1/20 0.39
PRKDC P78527 3/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
GPR84 Q9NQS5 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL2256933 0.93 ALOX5 (0.42) ALOX5ALDH1A1MAPTGGPS1PRKDC
SCHEMBL10442953 0.89 ALOX5 (0.48) ALOX5ALDH1A1MAPTGGPS1PRKDC
SCHEMBL10443111 0.89 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2GPR84
SCHEMBL12577661 0.89 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2GPR84
SCHEMBL38655382 0.89 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2GPR84
SCHEMBL12577658 0.89 ALOX5 (0.52) ALOX5GGPS1PRKDCPTGES2GPR84
SCHEMBL9890838 0.88 ALOX5 (0.51) ALOX5ALDH1A1MAPTGGPS1PRKDC
SCHEMBL125739 0.88 ALOX5 (0.56) ALOX5GGPS1PRKDCPTGES2GPR84
SCHEMBL17539822 0.88 ALOX5 (0.56) ALOX5GGPS1PRKDCPTGES2GPR84
SCHEMBL125809 0.88 ALOX5 (0.56) ALOX5GGPS1PRKDCPTGES2GPR84

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
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 US disclosed