SCHEMBL11501657

SCHEMBL11501657

CC(C)(CCC(C)(C)OO)OO.CC1CCC(C(C)C)C(OO)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TRPM8 Q7Z2W7 3/20 0.42
TRPA1 O75762 2/20 0.42
LMNA P02545 2/20 0.41
EPHX1 P07099 3/20 0.41
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
P2RX4 Q99571 1/20 0.37
NFE2L2 Q16236 1/20 0.36
NTSR1 P30989 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL11501858 0.88 ALDH1A1 (0.43) ALDH1A1TRPM8TRPA1LMNAEPHX1
SCHEMBL14204901 0.85 TRPM8 (0.55) ALDH1A1TRPM8TRPA1LMNAEPHX1
SCHEMBL65468 0.85 TRPM8 (0.55) ALDH1A1TRPM8TRPA1LMNAEPHX1
Sulfuric Acid SCHEMBL10419696 0.76 EPHX1 (0.47) ALDH1A1TRPM8TRPA1LMNAEPHX1
SCHEMBL4335793 0.74 EPHX1 (0.43) ALDH1A1TRPM8TRPA1LMNAEPHX1
Formaldehyde SCHEMBL16632919 0.74 EPHX1 (0.45) ALDH1A1TRPM8TRPA1LMNAEPHX1
Formaldehyde SCHEMBL7637343 0.74 EPHX1 (0.45) ALDH1A1TRPM8TRPA1LMNAEPHX1
Sulfuric Acid SCHEMBL11556086 0.73 EPHX1 (0.44) ALDH1A1TRPM8TRPA1LMNAEPHX1
SCHEMBL20838557 0.73 ALDH1A1 (0.60) ALDH1A1TRPM8TRPA1LMNAEPHX1
SCHEMBL7930044 0.72 EPHX1 (0.47) ALDH1A1LMNAEPHX1CYP19A1KDM4E

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-4161556-A Protective coating for glass substrate OWENS-ILLINOIS, INC. (US) 1979-07-17 US claimed