SCHEMBL6854496

SCHEMBL6854496

CC(CC(=O)OC1CC2CCC1C2)C(=O)OC1CC2CCC1C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
ATM Q13315 1/20 0.44
GRM1 Q13255 6/20 0.41
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL6853047 0.94 CYP19A1 (0.40) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL10228482 0.86 CYP19A1 (0.50) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL786222 0.84 ATM (0.46) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL17721441 0.81 CYP19A1 (0.41) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL10064889 0.81 ATM (0.43) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL10045202 0.80 ATM (0.51) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL6854606 0.80 ATM (0.51) CYP19A1ATMGRM1ALDH1A1CTSV
SCHEMBL17550548 0.79 CYP19A1 (0.47) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL9916129 0.78 CYP19A1 (0.44) CYP19A1ATMGRM1ALDH1A1EPHX2
SCHEMBL13657228 0.78 GRM1 (0.39) CYP19A1ATMGRM1ALDH1A1EPHX2

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-6797680-B2 NON-TOXIC TO HUMANS AND POSSES A NON- OFFENSIVE ODOR, WHILE ALSO BEING INEXPENSIVE TO MANUFACTURE GENERAL MOTORS CORPORATION 2004-09-28 US disclosed