SCHEMBL11079352

SCHEMBL11079352

CCCc1c(O)ccc2c(C)cc(=O)oc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.63
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MAOB P27338 3/20 0.63
MCL1 Q07820 2/20 0.63
MGAM O43451 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
SI P14410 1/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63
MGAM2 Q2M2H8 1/20 0.63
ERAP1 Q9NZ08 5/20 0.63
KMT2A Q03164 3/20 0.62
GLA P06280 4/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 4/20 0.60
GFER P55789 1/20 0.60

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
SCHEMBL18155873 0.88 KDM4E (0.67) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL6559997 0.85 GAA (0.71) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL6560136 0.85 KDM4E (0.64) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL15211319 0.82 MCL1 (0.66) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL6561597 0.82 ALDH1A1 (0.51) GAAKDM4EALDH1A1MAOBLMNA
SCHEMBL7001521 0.81 MAOA (0.63) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL1594333 0.81 CSNK2A2 (0.61) GAAKDM4EALDH1A1MCL1ERAP1
SCHEMBL3878331 0.80 CA9 (0.65) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL6561714 0.80 KDM4E (0.58) GAAKDM4EALDH1A1MAOBMCL1
SCHEMBL11440831 0.79 GAA (0.59) GAAKDM4EALDH1A1MAOBMCL1

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
EP-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
US-4330549-A Coumarins connected via an oxyalkyl group with a piperidine ring having anti-allergic action BOEHRINGER MANNHEIM GMBH (DE) 1982-05-18 US disclosed