SCHEMBL7793286

SCHEMBL7793286

CC1CCC(C(C)C)C(OC(O)OC2CC(C)CCC2C(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
LMNA P02545 2/20 0.48
EPHX1 P07099 3/20 0.48
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.43
CYP19A1 P11511 2/20 0.43
NFE2L2 Q16236 1/20 0.42
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1617999 0.89 TRPA1 (0.52) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL1481096 0.86 ALDH1A1 (0.49) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL291142 0.86 ALDH1A1 (0.49) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL2840731 0.85 TRPA1 (0.48) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL119404 0.85 TRPA1 (0.48) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL4250939 0.84 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL407118 0.84 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL20730936 0.84 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL4623820 0.84 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A
SCHEMBL11204442 0.84 ALDH1A1 (0.53) TRPA1TRPM8ALDH1A1KDM4EAPOBEC3A

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-20010034366-A1 Compositions based on iodopropynyl-and formaldehyde donor compounds and to their use as preservatives AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2001-10-25 US claimed