SCHEMBL9237186

SCHEMBL9237186

COCOC(c1ccc(F)cc1F)C1(C=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31
MC4R P32245 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
SLC6A2 P23975 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
SCHEMBL9236809 0.78 CES2 (0.32) CES2CES1MEN1KMT2AHSD11B1
SCHEMBL9234894 0.75 CES2 (0.33) CES2CES1MEN1ALDH1A1POLB
SCHEMBL9233994 0.75 OPRM1 (0.37) CES2CES1MEN1ALDH1A1POLB
SCHEMBL9240643 0.73 HSD11B1 (0.33) CES2CES1HSD11B1SLC6A2
SCHEMBL9238694 0.72 CES2 (0.44) CES2CES1HSD11B1MC4RIDO1
SCHEMBL8807188 0.63 IDO1 (0.43) CES2CES1MEN1ALDH1A1POLB
SCHEMBL30983140 0.61 HTR2A (0.36) MEN1ALDH1A1POLBHPGDKMT2A
SCHEMBL7123183 0.61 CES2 (0.43) CES2CES1ALDH1A1POLBMC4R
SCHEMBL96067 0.61 CES2 (0.43) CES2CES1MEN1ALDH1A1HPGD
SCHEMBL20905405 0.60 HTT (0.44) CES2CES1POLBKMT2AMC4R

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
EP-0670315-A1 Triazole oxime derivatives having antimycotic acitivity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed