SCHEMBL11684649

SCHEMBL11684649

COc1ccc2c(c1)CCc1cc(C(=O)O)ccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
GLA P06280 2/20 0.57
SRD5A1 P18405 3/20 0.54
SRD5A2 P31213 3/20 0.54
MIF P14174 3/20 0.53
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPK14 Q16539 2/20 0.52
MEN1 O00255 1/20 0.52
ALPL P05186 1/20 0.52
CLK1 P49759 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CYP26A1 O43174 1/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49

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
SCHEMBL11682107 0.94 MAPK14 (0.60) KDM4EGLASRD5A1SRD5A2MAPT
SCHEMBL17978308 0.93 MAPK14 (0.58) KDM4EGLASRD5A1SRD5A2MIF
SCHEMBL8253251 0.87 SRD5A2 (0.68) KDM4ESRD5A1SRD5A2MAPTRAB9A
SCHEMBL5345223 0.84 SRD5A2 (0.61) KDM4EGLASRD5A1SRD5A2MAPT
SCHEMBL29013394 0.83 MIF (0.72) KDM4EMIFMAPTSMN1; SMN2RAB9A
SCHEMBL29013391 0.83 MIF (0.72) KDM4EMIFMAPTSMN1; SMN2RAB9A
SCHEMBL30449720 0.83 MIF (0.72) KDM4EMIFMAPTSMN1; SMN2RAB9A
SCHEMBL29546448 0.83 MIF (0.72) KDM4EMIFMAPTSMN1; SMN2RAB9A
SCHEMBL10528326 0.83 KDM4E (0.62) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11686260 0.82 PTPN11 (0.57) MAPTRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041173-A ANTI-ASTHMATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-09 US disclosed