SCHEMBL9534704

SCHEMBL9534704

COC(=O)c1c(OC(C)C)c2cc(OC)ccc2n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 4/20 0.52
HTT P42858 2/20 0.52
MAPK8 P45983 9/20 0.48
EDNRA P25101 2/20 0.48
HPGD P15428 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
PPARG P37231 1/20 0.44
MTNR1A P48039 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
SCHEMBL9144495 0.91 KDM4E (0.58) KDM4EMAPTHTTEDNRAHPGD
SCHEMBL10758715 0.89 KDM4E (0.58) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9141602 0.89 KDM4E (0.53) KDM4EMAPTHTTEDNRAHPGD
SCHEMBL9538268 0.86 MAPK8 (0.52) KDM4EMAPTMAPK8HPGDPKM
SCHEMBL9535567 0.86 PPARG (0.48) MAPTHTTMAPK8EDNRAHPGD
SCHEMBL9536815 0.86 MAPK8 (0.51) KDM4EMAPTMAPK8HPGDALDH1A1
SCHEMBL9144254 0.84 KDM4E (0.47) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9534868 0.84 MEN1 (0.54) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL10652966 0.82 KDM4E (0.51) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9536907 0.82 KDM4E (0.54) KDM4EMAPTHTTMAPK8EDNRA

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