SCHEMBL4600767

SCHEMBL4600767

COC(=O)[C]1CCC(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL12404098 0.77 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL13929453 0.77 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
Bicarbonate SCHEMBL2854194 0.76 GBA1 (0.52) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL6794966 0.75 LOXL2 (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL31352725 0.75 LOXL2 (0.58) KDM4EMEN1KMT2AMAPT
SCHEMBL5675291 0.73 GBA1 (0.57) ALDH1A1
SCHEMBL757429 0.73 LOXL2 (0.62) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28073382 0.73 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL21494357 0.72 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL6963348 0.72 LOXL2 (0.54) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19

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
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed