SCHEMBL4884258

SCHEMBL4884258

CCCOc1ccc(Cc2ccc(OCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.55
LTA4H P09960 4/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
CHRNB2 P17787 1/20 0.43

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
SCHEMBL9618496 0.82 LTA4H (0.53) CSNK2A1LTA4HMEN1KMT2ASMN1; SMN2
SCHEMBL27569179 0.82 MRGPRX4 (0.51) CSNK2A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4057023 0.77 CHRNA7 (0.65) LTA4HSMN1; SMN2CYP1A2CYP2C19CHRNB2
SCHEMBL8958913 0.76 LTA4H (0.63) CSNK2A1LTA4HMEN1KMT2ASMN1; SMN2
SCHEMBL5570353 0.76 BCHE (0.51) MEN1KMT2ANPSR1
SCHEMBL4904834 0.76 MEN1 (0.47) CSNK2A1MEN1KMT2ANPSR1
SCHEMBL17658995 0.76 ALOX5 (0.58) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5569180 0.76 ALOX5 (0.46) CSNK2A1LTA4HSMN1; SMN2
SCHEMBL10599543 0.75 LMNA (0.69) LTA4HSMN1; SMN2CYP1A2CYP2C19
SCHEMBL11856925 0.75 LMNA (0.69) LTA4HSMN1; SMN2CYP1A2CYP2C19

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-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed