SCHEMBL27628461

SCHEMBL27628461

CCCCCCc1cnc(-c2ccccc2)n1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
CETP P11597 1/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
TSHR P16473 1/20 0.39
CACNA2D1 P54289 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TBXAS1 P24557 1/20 0.37
PDE4B Q07343 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL28107653 0.88 HSD11B1 (0.50) HSD11B1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL5010872 0.77 HSD11B1 (0.43) HSD11B1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL5014187 0.72 HSD11B1 (0.39) HSD11B1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL5012015 0.71 CYP2C9 (0.45) HSD11B1KDM4EALDH1A1CETPCNR1
SCHEMBL5012580 0.71 CYP2C9 (0.45) HSD11B1KDM4EALDH1A1CETPCNR1
SCHEMBL6619455 0.70 TSHR (0.51) HSD11B1KDM4EHPGDALDH1A1TSHR
SCHEMBL27799628 0.70 CETP (0.53) CETPPI4KAPI4K2BPI4K2API4KB
SCHEMBL15281212 0.70 UCHL3 (0.59) HSD11B1KDM4EHPGDSMN1; SMN2ALDH1A1
Undecane SCHEMBL28107197 0.67 LMNA (0.58) SMN1; SMN2TSHRHTT
SCHEMBL28356409 0.67 HPGD (0.42) KDM4EHPGDSMN1; SMN2ALDH1A1PPARG

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
CN-1654709-A Surface treatment agents for metal films of printed circuit boards TAMURA KAKEN CORP (JP) 2005-08-17 CN disclosed