SCHEMBL28291254

SCHEMBL28291254

CNCCC(N)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
EPHX1 P07099 1/20 0.38
SHBG P04278 1/20 0.38
DPP4 P27487 1/20 0.37
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL2781157 0.81 EPHX1 (0.48) SIGMAR1EPHX1SHBGDPP4TP53
SCHEMBL3724615 0.80 EPHX1 (0.39) EPHX1SHBGDPP4TP53KDM4E
SCHEMBL8444988 0.80 EPHX1 (0.44) SIGMAR1EPHX1SHBGTP53KDM4E
SCHEMBL22131451 0.78 SIGMAR1 (0.39) SIGMAR1EPHX1SHBGTP53KDM4E
SCHEMBL20842627 0.78 SIGMAR1 (0.39) SIGMAR1EPHX1SHBGTP53KDM4E
SCHEMBL24488845 0.78 SIGMAR1 (0.39) SIGMAR1EPHX1SHBGTP53KDM4E
SCHEMBL13675445 0.77 EPHX1 (0.36) EPHX1SHBGDPP4TP53KDM4E
SCHEMBL30142421 0.77 SHBG (0.46) SIGMAR1EPHX1SHBGDPP4TP53
SCHEMBL20319041 0.77 SHBG (0.46) SIGMAR1EPHX1SHBGDPP4TP53
SCHEMBL7104978 0.77 SHBG (0.46) SIGMAR1EPHX1SHBGDPP4TP53

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
CN-109569736-A A kind of novel catalyst of denitrification and preparation method thereof 乔培根 2019-04-05 CN claimed
CN-109569736-A A kind of novel catalyst of denitrification and preparation method thereof 乔培根 2019-04-05 CN disclosed