SCHEMBL4054598

SCHEMBL4054598

COC(CCCC(C)=O)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PAOX Q6QHF9 1/20 0.33
KISS1R Q969F8 1/20 0.33
CTSK P43235 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PTPN1 P18031 1/20 0.32
PLA2G10 O15496 1/20 0.30
CA1 P00915 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
SCHEMBL4053863 0.88 ALDH1A1 (0.36) FOLH1ALDH1A1TDP1KISS1RCTSK
SCHEMBL4059136 0.75 ALDH1A1 (0.50) ALDH1A1TDP1MGAMGAASI
SCHEMBL1783088 0.75 ALDH1A1 (0.39) KDM1AALDH1A1ACHETDP1PAOX
SCHEMBL8192790 0.75 CTSK (0.30) CTSK
SCHEMBL16171990 0.74 CA1 (0.31) CTSKCA1
SCHEMBL13764202 0.74 TUBB4A (0.40) KDM1AALDH1A1ACHEPAOX
SCHEMBL7542023 0.74
SCHEMBL130602 0.74
SCHEMBL8184229 0.74
SCHEMBL4062523 0.74 ALDH1A1 (0.38) KDM1AALDH1A1ACHETDP1PAOX

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
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed