SCHEMBL11713697

SCHEMBL11713697

COc1cc2ccccc2c(C(C)(C)C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
EDNRB P24530 6/20 0.39
EDNRA P25101 6/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL15113560 0.81 KDM4E (0.49) CDC25BKDM4EALDH1A1HPGDNPSR1
SCHEMBL11829450 0.77 ALDH1A1 (0.40) CDC25BKDM4EALDH1A1HPGDNPSR1
SCHEMBL756469 0.75 ALOX15 (0.46) CDC25BKDM4EALDH1A1HPGDNPSR1
SCHEMBL11713317 0.71 AKR1C3 (0.41) KDM4EALDH1A1KMT2AMEN1EDNRB
SCHEMBL3838553 0.71 KDM4E (0.52) CDC25BKDM4EALDH1A1HPGDNPSR1
SCHEMBL11711474 0.69 AKR1C3 (0.39) KDM4EALDH1A1EDNRBEDNRAMAPT
SCHEMBL4266314 0.69 KDM4E (0.53) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL637337 0.69 KDM4E (0.53) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL24373348 0.68 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL4102841 0.68 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053476-A 7-AZA-6-ALKOXY-1-TETRALONES G. D. SEARLE & CO. (US) 1977-10-11 US disclosed
US-3991061-A Azanaphthaleneacetic acid derivatives G. D. SEARLE & CO. (US) 1976-11-09 US disclosed