SCHEMBL3412933

SCHEMBL3412933

CC1=C(CCNC(=O)C(O)c2ccc(Cl)cc2)C(=O)C(C)C(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL1784901 0.81 NAAA (0.40) NAAACNR1CNR2LMNAPOLB
SCHEMBL1785402 0.70 TRPV1 (0.45) CNR1CNR2LMNAPOLBKMT2A
SCHEMBL21674352 0.68 NAAA (0.55) NAAACNR1CNR2LMNACYP2C19
SCHEMBL1783930 0.68 NAAA (0.55) NAAACNR1CNR2LMNAPOLB
SCHEMBL8974540 0.68 GAA (0.67) CNR1LMNAKMT2AGAA
SCHEMBL4369692 0.66 GAA (0.55) CNR1GAAMTNR1AMTNR1B
SCHEMBL4359697 0.66 GAA (0.55) CNR1GAAMTNR1AMTNR1B
SCHEMBL4364582 0.66 GAA (0.55) CNR1GAAMTNR1AMTNR1B
SCHEMBL1784264 0.66 CES2 (0.43) NAAAKMT2A
SCHEMBL5176623 0.64 MEN1 (0.64) CNR1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed