SCHEMBL9534868

SCHEMBL9534868

CCOc1c(C(=O)OC)n(-c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPK8 P45983 9/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 2/20 0.49
EDNRA P25101 1/20 0.48
MAPK1 P28482 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL9146455 0.91 MEN1 (0.58) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL10758715 0.89 KDM4E (0.58) MEN1KMT2AKDM4EMAPK8MAPT
SCHEMBL9536907 0.89 KDM4E (0.54) MEN1KMT2AKDM4EMAPK8MAPT
SCHEMBL10652966 0.89 KDM4E (0.51) MEN1KMT2AKDM4EMAPK8MAPT
SCHEMBL9143441 0.89 MEN1 (0.54) MEN1KMT2AKDM4EMAPK8MAPT
SCHEMBL9538611 0.88 MAPK8 (0.48) MEN1KMT2AKDM4EMAPK8MAPT
SCHEMBL9538371 0.88 MAPK8 (0.48) MEN1KMT2AKDM4EMAPK8MAPT
SCHEMBL10464433 0.86 MAPK8 (0.57) KMT2AKDM4EMAPK8MAPTSMN1; SMN2
SCHEMBL9537683 0.85 MAPT (0.60) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL9534704 0.84 KDM4E (0.53) MEN1KMT2AKDM4EMAPK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed