SCHEMBL4418668

SCHEMBL4418668

COc1ccc(OC)c(-c2cc(OC(=O)NN3CCCCC3)c(C)n2CC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.43
CNR2 P34972 1/20 0.39
LIPE Q05469 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ELANE P08246 1/20 0.37
MPO P05164 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4428607 0.90 HTR2C (0.39) LIPEKDM4EALDH1A1KMT2A
SCHEMBL4422551 0.87 PLA2G2A (0.44) PLA2G2ACNR2NPC1RAB9AALDH1A1
SCHEMBL4424973 0.87 MEN1 (0.46) PLA2G2ANPC1RAB9AALDH1A1MEN1
SCHEMBL4426908 0.87 MEN1 (0.46) PLA2G2ANPC1RAB9AALDH1A1MEN1
SCHEMBL3930525 0.86 PLA2G2A (0.44) PLA2G2ACNR2NPC1RAB9AKDM4E
SCHEMBL4428456 0.86 MEN1 (0.46) PLA2G2ANPC1RAB9AALDH1A1MEN1
SCHEMBL4429365 0.85 CNR1 (0.36) LIPEKMT2ATSHR
SCHEMBL4416088 0.84 PLA2G2A (0.42) PLA2G2ACNR2NPC1RAB9AALDH1A1
SCHEMBL4427086 0.84 PLA2G2A (0.42) PLA2G2ACNR2NPC1RAB9AALDH1A1
SCHEMBL4426602 0.84 PLA2G2A (0.42) PLA2G2ACNR2NPC1RAB9AALDH1A1

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
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed