SCHEMBL7858097

SCHEMBL7858097

COC(=O)C1C(C(=O)OC)[C@H]2CC[C@H]1C2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC6A3 Q01959 8/20 0.50
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A4 P31645 6/20 0.44

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
SCHEMBL7858104 1.00 ALDH1A1 (0.54) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7858102 1.00 ALDH1A1 (0.54) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12317735 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9534129 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15059297 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8398424 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9532224 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12268199 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15382010 0.91 PPM1B (0.55) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL20306770 0.90 MEN1 (0.47) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19

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
US-6309719-B1 CONTAINING NORBORNANEDICARBOXYLIC ACID ARTEVA NORTH AMERICA S.A.R.L. (CH) 2001-10-30 US disclosed