SCHEMBL6480428

SCHEMBL6480428

COc1ccc2cc(CCC(=O)Cl)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.74
KDM4E B2RXH2 2/20 0.74
LMNA P02545 2/20 0.74
MAPT P10636 2/20 0.74
NPC1 O15118 1/20 0.74
TP53 P04637 1/20 0.74
CYP3A4 P08684 1/20 0.74
MAOA P21397 1/20 0.74
SLC6A2 P23975 1/20 0.74
RAB9A P51151 1/20 0.74
SLC6A3 Q01959 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
PTGS1 P23219 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
PTGS2 P35354 1/20 0.56
HCAR2 Q8TDS4 1/20 0.54
F2RL1 P55085 1/20 0.50
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 1/20 0.49

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
Nabumetone SCHEMBL29570823 0.85 CYP1A2 (1.00) CYP1A2KDM4ELMNAMAPTNPC1
Nabumetone SCHEMBL3853067 0.85 CYP1A2 (1.00) CYP1A2KDM4ELMNAMAPTNPC1
Nabumetone SCHEMBL2256 0.85 CYP1A2 (1.00) CYP1A2KDM4ELMNAMAPTNPC1
SCHEMBL1403565 0.85 CYP1A2 (0.77) CYP1A2KDM4ELMNAMAPTNPC1
Nabumetone SCHEMBL29373228 0.85 CYP1A2 (1.00) CYP1A2KDM4ELMNAMAPTNPC1
SCHEMBL27706724 0.85 CYP1A2 (0.77) CYP1A2KDM4ELMNAMAPTNPC1
SCHEMBL925662 0.84 F2RL1 (0.68) NPC1RAB9ASMN1; SMN2F2RL1ALDH1A1
SCHEMBL18096515 0.84 CYP1A2 (0.74) CYP1A2KDM4ELMNAMAPTNPC1
Nabumetone SCHEMBL104942 0.84 CYP1A2 (0.97) CYP1A2KDM4ELMNAMAPTNPC1
SCHEMBL4712374 0.84 CYP1A2 (0.74) CYP1A2KDM4ELMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532098-A1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN Nicox S.A. (FR) 2005-05-25 EP disclosed
WO-2004020384-A1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN NICOX S.A. (FR) 2004-03-11 WO disclosed
US-5290478-A Nitrile containing naphthylene compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-01 US disclosed
US-5160662-A Improved response times SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-03 US disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 EP disclosed
US-4704392-A VIRICIDES SYNTEX (U.S.A.) INC. (US) 1987-11-03 US disclosed
US-4605659-A HERPES; HEPATITUS SYNTEX (U.S.A.) INC. (US) 1986-08-12 US disclosed