SCHEMBL8450383

SCHEMBL8450383

CC(O)(O)C1CCC(O)(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.31

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
SCHEMBL8449039 0.86 HSD11B1 (0.34) CCR1HSD11B1
SCHEMBL9505513 0.73 OPRM1 (0.36) CCR1
SCHEMBL26929234 0.73 CCR1 (0.37) CCR1
SCHEMBL8453203 0.71 MEN1 (0.33) MEN1KMT2A
SCHEMBL12228211 0.69 CCR1 (0.37) CCR1
SCHEMBL2269140 0.68 DRD2 (0.48) CCR1
SCHEMBL9097937 0.68 ALDH1A1 (0.45) MEN1KMT2AHSD11B1
SCHEMBL8453467 0.68 OPRL1 (0.47) HSD11B1
SCHEMBL8450380 0.68 MEN1 (0.34) CCR1MEN1KMT2A
SCHEMBL8443224 0.67 AQP1 (0.46) CCR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647696-B1 Cyclohexane derivative CHISSO CORP (JP) 1999-04-21 EP disclosed
EP-0647696-A1 Cyclohexane derivative Chisso Corporation (JP) 1995-04-12 EP disclosed
US-5382379-A Cyclohexane derivative CHISSO CORPORATION (JP) 1995-01-17 US disclosed