SCHEMBL1979999

SCHEMBL1979999

Cc1c[c]c(C)c(-c2ccccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.43
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HSD11B1 P28845 5/20 0.39
CYP2A6 P11509 1/20 0.38
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
GRM2 Q14416 1/20 0.35
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 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
SCHEMBL4426433 0.80 HTR2B (0.36) KMT2AHSD11B1ALDH1A1CYP3A4TSHR
SCHEMBL3410793 0.77 PLA2G7 (0.37) PLA2G7KMT2APOLBHSD11B1CYP2A6
SCHEMBL6852286 0.75 KMT2A (0.43) PLA2G7KMT2APOLBHSD11B1CYP2A6
SCHEMBL5086316 0.74 ALKBH3 (0.35) KMT2APOLBALDH1A1CYP2C19LMNA
SCHEMBL13176930 0.74 PLA2G7 (0.50) PLA2G7KMT2APOLBHSD11B1CYP2A6
SCHEMBL5993764 0.73 PTGDR2 (0.41) KMT2AALDH1A1CYP2C19NPC1RAB9A
SCHEMBL277914 0.71 PLA2G7 (0.67) PLA2G7KMT2APOLBHSD11B1CYP2A6
SCHEMBL3410828 0.71 ALDH1A1 (0.37) KMT2APOLBCYP2A6ALDH1A1CYP1A2
SCHEMBL5318809 0.71
SCHEMBL1980000 0.70 PLA2G7 (0.51) PLA2G7KMT2APOLBHSD11B1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed