SCHEMBL29007633

SCHEMBL29007633

NCCC(CCC(N)C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.31
SHBG P04278 1/20 0.31
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1397282 0.87 EPHX1 (0.50) EPHX1ALDH1A1DPP4TP53KDM4E
SCHEMBL1397325 0.85 EPHX1 (0.48) EPHX1ALDH1A1DPP4TP53KDM4E
SCHEMBL28430462 0.83 EPHX1 (0.44) EPHX1ALDH1A1DPP4TP53KDM4E
SCHEMBL2781157 0.82 EPHX1 (0.48) EPHX1DPP4TP53KDM4EGMNN
SCHEMBL1615544 0.79 ALDH1A1 (0.53) EPHX1ALDH1A1DPP4TP53KDM4E
SCHEMBL17163913 0.78
SCHEMBL16281688 0.78 ALDH1A1 (0.44) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL4243546 0.77 EPHX1 (0.44) EPHX1ALDH1A1DPP4TP53KDM4E
SCHEMBL11519202 0.76 ALDH1A1 (0.50) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL13767350 0.75 SHBG (0.48) EPHX1ALDH1A1DPP4TP53KDM4E

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-110402277-B Water-swellable moisture-curable one-component polyurethane sealants SIKA技术股份公司 2023-04-28 CN disclosed