SCHEMBL9844481

SCHEMBL9844481

CCCCCCCCC(O)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTNNB1 P35222 1/20 0.43
CSNK1E P49674 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ADRB2 P07550 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6617420 1.00 KDM4E (0.45) KDM4EKMT2AL3MBTL1CTNNB1CSNK1E
SCHEMBL10645948 1.00 KDM4E (0.45) KDM4EKMT2AL3MBTL1CTNNB1CSNK1E
SCHEMBL9493810 1.00 KDM4E (0.45) KDM4EKMT2AL3MBTL1CTNNB1CSNK1E
SCHEMBL11493052 0.98 CTNNB1 (0.44) KDM4EKMT2AL3MBTL1CTNNB1SIGMAR1
SCHEMBL13850014 0.87 CTNNB1 (0.47) CTNNB1SIGMAR1ADRB2CYP1A2CYP2D6
SCHEMBL14402412 0.87 CTNNB1 (0.47) CTNNB1SIGMAR1ADRB2CYP1A2CYP2D6
SCHEMBL9859804 0.86 KDM4E (0.46) KDM4EKMT2AL3MBTL1CTNNB1SIGMAR1
SCHEMBL28900394 0.84 KDM4E (0.44) KDM4EKMT2AL3MBTL1CTNNB1SIGMAR1
SCHEMBL7330802 0.81 HTR1B (0.47) CTNNB1CYP1A2CYP2D6CYP2C19
SCHEMBL2480670 0.80 CTNNB1 (0.50) CTNNB1SIGMAR1ADRB2CYP1A2CYP2D6

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
EP-0408838-A1 Emulsifiers and explosive emulsions containing same The Lubrizol Corporation (US) 1991-01-23 EP disclosed