SCHEMBL8338754

SCHEMBL8338754

CCCCOCc1ccc(OCC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.52
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL15259656 0.95 CALM1 (0.51) CALM1KDM4EMAPTGAASMN1; SMN2
SCHEMBL15259685 0.94 CALM1 (0.50) CALM1KDM4EMAPTGAASMN1; SMN2
SCHEMBL15259682 0.91 CALM1 (0.55) CALM1KDM4EMAPTGAASMN1; SMN2
SCHEMBL8337378 0.91 CA2 (0.53) KDM4EALDH1A1L3MBTL1CA2
SCHEMBL20956602 0.89 MEN1 (0.51) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL27519166 0.86 CA2 (0.52) KDM4EL3MBTL1CA2
SCHEMBL15259653 0.85 CALM1 (0.59) CALM1KDM4EMAPTGAASMN1; SMN2
SCHEMBL15259646 0.82 CALM1 (0.50) CALM1KDM4EMAPTGAASMN1; SMN2
SCHEMBL31512879 0.82 ALDH1A1 (0.47) KDM4EMAPTGAAMEN1ALDH1A1
SCHEMBL8295694 0.81 CALM1 (0.67) CALM1KDM4EMAPTGAATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11209321-A None JP disclosed
CN-107532063-B Methylmenthol derivative and cold-sensitive composition containing the same 高砂香料工业株式会社 2020-03-10 CN disclosed
US-20130247654-A1 METHOD FOR EVALUATING SENSORY STIMULUS COMPONENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
EP-2642287-A2 Method for evaluating sensory stimulus component Takasago International Corporation (JP) 2013-09-25 EP disclosed
JP-H11209321-A ETHYLVANILLYL ALCOHOL DERIVATIVE KAO CORP 1999-08-03 JP disclosed