SCHEMBL9536907

SCHEMBL9536907

COC(=O)c1c(OCc2ccccc2)c2cc(OC)ccc2n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.53
PDE5A O76074 2/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
MAPK8 P45983 7/20 0.48
HPGD P15428 4/20 0.48
PKM P14618 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EDNRA P25101 2/20 0.48
EDNRB P24530 1/20 0.48

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
SCHEMBL10759304 0.91 KDM4E (0.59) KDM4EMAPTHTTHPGDEDNRA
SCHEMBL9534868 0.89 MEN1 (0.54) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL10758715 0.87 KDM4E (0.58) KDM4EMAPTHTTMAPK8HPGD
SCHEMBL10652966 0.87 KDM4E (0.51) KDM4EMAPTHTTMAPK8HPGD
SCHEMBL10761739 0.86 MAPK8 (0.52) KDM4EMAPTPDE5APDE4APDE4B
SCHEMBL9538371 0.84 MAPK8 (0.48) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9538611 0.84 MAPK8 (0.48) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9534704 0.82 KDM4E (0.53) KDM4EMAPTHTTMAPK8HPGD
SCHEMBL9537498 0.81 KDM4E (0.44) KDM4EMAPTHTTPDE5APDE4A
SCHEMBL9539511 0.80 KDM4E (0.58) KDM4EMAPTHTTMAPK8HPGD

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