SCHEMBL9538371

SCHEMBL9538371

CCCCCCCCCOc1c(C(=O)OC)n(-c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 10/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
PLA2G2A P14555 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EDNRA P25101 1/20 0.44

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
SCHEMBL9538611 1.00 MAPK8 (0.48) MAPK8KDM4EMAPTHTTPLA2G2A
SCHEMBL10757952 0.92 KDM4E (0.53) KDM4EMAPTHTTPLA2G2AMEN1
SCHEMBL10760919 0.92 KDM4E (0.53) KDM4EMAPTHTTPLA2G2AMEN1
SCHEMBL9534868 0.88 MEN1 (0.54) MAPK8KDM4EMAPTHTTMEN1
SCHEMBL10758715 0.85 KDM4E (0.58) MAPK8KDM4EMAPTHTTMEN1
SCHEMBL10652966 0.84 KDM4E (0.51) MAPK8KDM4EMAPTHTTMEN1
SCHEMBL9536907 0.84 KDM4E (0.54) MAPK8KDM4EMAPTHTTPLA2G2A
SCHEMBL9537135 0.83 KDM4E (0.41) MAPK8KDM4EMAPTHTTPLA2G2A
SCHEMBL9535878 0.83 KDM4E (0.41) MAPK8KDM4EMAPTHTTPLA2G2A
SCHEMBL27291037 0.80 MAPK8 (0.55) MAPK8

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