SCHEMBL5250908

SCHEMBL5250908

COc1ccc(CO)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALOX12 P18054 3/20 0.48
ALOX15 P16050 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL5521150 0.87 MEN1 (0.51) CYP11B1CYP11B2MEN1KMT2ANPSR1
SCHEMBL9537317 0.85 MEN1 (0.44) MEN1KMT2ANPSR1ALOX12ALOX15
SCHEMBL8439997 0.85 MEN1 (0.47) CYP11B1CYP11B2MEN1KMT2ANPSR1
SCHEMBL7832063 0.81 MEN1 (0.47) CYP11B1CYP11B2MEN1KMT2ANPSR1
SCHEMBL14686282 0.80 CA1 (0.47) CYP11B1CYP11B2MEN1KMT2ANPSR1
SCHEMBL28750722 0.79 ALOX15 (0.60) MEN1KMT2ANPSR1ALOX12ALOX15
SCHEMBL18557563 0.77 MEN1 (0.49) CYP11B1CYP11B2MEN1KMT2ANPSR1
SCHEMBL5753110 0.77 ALDH1A1 (0.54) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL5510993 0.77 MEN1 (0.48) MEN1KMT2ANPSR1ALOX12ALOX15
SCHEMBL1578362 0.76 MEN1 (0.50) CYP11B1CYP11B2MEN1KMT2ANPSR1

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-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO disclosed