SCHEMBL6848141

SCHEMBL6848141

CC(C(=O)OC1CC2CCC1CC2)C(=O)OC1CC2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
GRM1 Q13255 2/20 0.37
IRAK4 Q9NWZ3 4/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CHRM2 P08172 4/20 0.32
CHRM1 P11229 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 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
SCHEMBL6854606 0.92 ATM (0.51) ATMGRM1IRAK4CYP19A1LMNA
SCHEMBL13657228 0.82 GRM1 (0.39) ATMGRM1CYP19A1LMNASMN1; SMN2
SCHEMBL10045202 0.81 ATM (0.51) ATMGRM1IRAK4CYP19A1LMNA
SCHEMBL6853047 0.79 CYP19A1 (0.40) ATMGRM1IRAK4CYP19A1HPGD
SCHEMBL17721441 0.78 CYP19A1 (0.41) ATMGRM1IRAK4CYP19A1ALDH1A1
SCHEMBL12256172 0.77 ATM (0.51) ATMGRM1CYP19A1CTSVCTSL
SCHEMBL11079349 0.77 ATM (0.50) ATMGRM1CYP19A1LMNASMN1; SMN2
SCHEMBL2654180 0.77 ATM (0.46) ATMGRM1CYP19A1CHRM2CHRM1
SCHEMBL786222 0.75 ATM (0.46) ATMGRM1CYP19A1LMNAHPGD
SCHEMBL6848139 0.74 ATM (0.36) ATMGRM1CYP19A1LMNAHPGD

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