SCHEMBL6890184

SCHEMBL6890184

CC12OC(=O)CC1CC(=O)O2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 1/20 0.32
PTPN1 P18031 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5987624 0.69 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2TSHRCYP3A4
SCHEMBL16347736 0.69 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2TSHRCYP3A4
SCHEMBL21682142 0.68 SHBG (0.35) ALDH1A1LMNATSHRCYP3A4CYP2C9
SCHEMBL13327624 0.67
SCHEMBL6059815 0.67
SCHEMBL16904971 0.67
SCHEMBL7746228 0.65
SCHEMBL5345898 0.65
SCHEMBL17964310 0.65 ALDH1A1 (0.36) ALDH1A1LMNATSHRCYP3A4CYP2C9
SCHEMBL19777585 0.64 TSHR (0.38) ALDH1A1LMNATSHRCYP3A4CYP2C9

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-6790555-B2 PASSIVATING ADDITIVE PRECLUDES FORMATION OF GAS WITHIN THE CELL AS RESULT OF DECOMPOSITION OF SOLVENTS CONTAINED WITHIN THE ELECTROLYTE; RETENTION MITSUBISHI CHEMICAL CORPORATION (JP) 2004-09-14 US claimed