SCHEMBL27670530

SCHEMBL27670530

O=C(O)C1CC1(CO)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
GRM6 O15303 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
KDM1A O60341 4/20 0.38
GRM2 Q14416 1/20 0.38
GRIN2B Q13224 1/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL14783304 0.77 CYP2C19 (0.36) GRM6MEN1KMT2AGRM2CYP1A2
SCHEMBL7434413 0.74 MAOA (0.39) HSD11B1MAOAMAOBKDM1AALDH1A1
SCHEMBL7444026 0.74 MAOA (0.39) HSD11B1MAOAMAOBKDM1AALDH1A1
SCHEMBL7442018 0.73 MAOA (0.44) HSD11B1MEN1KMT2AMAOAMAOB
SCHEMBL7442024 0.73 MAOA (0.44) HSD11B1MEN1KMT2AMAOAMAOB
SCHEMBL7444576 0.71 LMNA (0.38) HSD11B1MEN1KMT2AMAOAMAOB
SCHEMBL28661279 0.69 GRM6 (0.40) HSD11B1GRM6MEN1KMT2AMAOA
SCHEMBL7440895 0.67 ALDH1A1 (0.36) HSD11B1MAOAMAOBKDM1AALDH1A1
SCHEMBL7447857 0.67 ALDH1A1 (0.36) HSD11B1MAOAMAOBKDM1AALDH1A1
SCHEMBL6236002 0.66 SLC6A9 (0.44) HSD11B1HPGDUSP2ALDH1A1EPHX2

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
CN-1894206-A N-substituted N-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2007-01-10 CN disclosed