SCHEMBL4760044

SCHEMBL4760044

CC(C)CCCC(C)CCCC(C)CCCC(C)CCSc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GRM2 Q14416 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
BLM P54132 1/20 0.33
AR P10275 2/20 0.33
POLB P06746 2/20 0.32

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
SCHEMBL21575588 0.88 LMNA (0.50) LMNACYP3A4MAOAMAOBALDH1A1
SCHEMBL4761158 0.83 ALDH1A1 (0.48) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7536881 0.81 GRM2 (0.42) LMNAGRM2MAOAMAOBALDH1A1
SCHEMBL21575601 0.81 LMNA (0.43) LMNAMAOAMAOBALDH1A1BLM
SCHEMBL26085728 0.76 BLM (0.41) LMNAMAOAMAOBBLMAR
SCHEMBL7536901 0.75 LMNA (0.45) LMNAGRM2CYP3A4MAOAMAOB
SCHEMBL7537633 0.73 ALDH1A1 (0.45) LMNAGRM2ALDH1A1KDM4EMEN1
SCHEMBL18655795 0.71 CYP1A2 (0.52) LMNAGRM2CYP1A2CYP3A4CYP2D6
SCHEMBL14273828 0.71 LMNA (0.39) LMNAALDH1A1MEN1KMT2ABLM
SCHEMBL14093836 0.71 CYP1A2 (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101404985-A Autoimmune conditions and NADPH oxidase defects BIOVITRUM AB PUBL (SE) 2009-04-08 CN disclosed
EP-2004159-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS Biovitrum AB (publ) (SE) 2008-12-24 EP disclosed
WO-2007104790-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS BIOVITRUM AB (PUBL) (SE) 2007-09-20 WO disclosed
WO-2007104790-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS BIOVITRUM AB (PUBL) (SE) 2007-09-20 WO disclosed