SCHEMBL4495227

SCHEMBL4495227

CCCCNC(=O)c1c(C)c(C)cc(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
NAAA Q02083 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.43
CSNK2A2 P19784 1/20 0.43
KDR P35968 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NR5A2 O00482 1/20 0.42

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
SCHEMBL20439877 0.89 CYP1A2 (0.57) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL1004037 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRHTTKDM4E
SCHEMBL27358399 0.80 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KDM4EL3MBTL1HPGD
SCHEMBL4610435 0.79 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL4495229 0.79 TSHR (0.61) ALDH1A1SMN1; SMN2TSHRHTTKDM4E
SCHEMBL10492123 0.77 TSHR (0.47) ALDH1A1SMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL2914113 0.75 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL14811748 0.75 TSHR (0.71) ALDH1A1SMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL3832764 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRHTTKDM4E
SCHEMBL10790304 0.74 HPGD (0.55) ALDH1A1SMN1; SMN2TSHRHTTL3MBTL1

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-2131431-A1 MEMBRANE-ELECTRODE BONDING AGENT, PROTON CONDUCTING MEMBRANE WITH BONDING LAYER, MEMBRANE-ELECTRODE ASSEMBLY, SOLID POLYMER FUEL CELL, AND METHOD FOR PRODUCING MEMBRANE-ELECTRODE ASSEMBLY Sekisui Chemical Co., Ltd. (JP) 2009-12-09 EP disclosed