SCHEMBL9535567

SCHEMBL9535567

COC(=O)c1c(OC(C)C)c2ccccc2n1-c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EDNRA P25101 1/20 0.44
LMNA P02545 2/20 0.44
PPARA Q07869 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 4/20 0.43
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL9536815 0.90 MAPK8 (0.51) PPARGMAPTHPGDPKMALOX15
SCHEMBL10758409 0.89 PPARG (0.60) PPARGMAPTHTTEDNRALMNA
SCHEMBL9534704 0.86 KDM4E (0.53) PPARGMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL9534703 0.81 MAPT (0.52) PPARGMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL9538497 0.79 MAPK8 (0.55) PPARGMAPTHPGDPKMALOX15
SCHEMBL9535097 0.79 PPARG (0.40) PPARGMAPTSMN1; SMN2MAPK1HPGD
SCHEMBL10756621 0.78 PPARG (0.53) PPARGPKMEDNRALMNAPPARA
SCHEMBL9538268 0.77 MAPK8 (0.52) MAPTHPGDPKMALOX15HSD17B10
SCHEMBL9144495 0.76 KDM4E (0.58) PPARGMAPTHPGDHTTEDNRA
SCHEMBL9141602 0.74 KDM4E (0.53) PPARGMAPTHPGDHTTEDNRA

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