SCHEMBL10483370

SCHEMBL10483370

COc1ccc2c(c1)c1oc(C(=O)O)c(O)c1n2-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPT P10636 6/20 0.52
HTT P42858 1/20 0.52
EDNRA P25101 6/20 0.48
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EDNRB P24530 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL10411357 0.91 KDM4E (0.51) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10652350 0.89 KDM4E (0.56) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10654988 0.84 MEN1 (0.52) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10655257 0.82 KDM4E (0.51) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10654033 0.82 KDM4E (0.51) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10654418 0.78 MEN1 (0.48) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10652232 0.76 RECQL (0.46) KDM4EMAPTHTTALDH1A1MEN1
SCHEMBL10653794 0.75 LMNA (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10652305 0.75 KDM4E (0.41) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10655975 0.73 KDM4E (0.45) KDM4EMAPTHTTEDNRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed