SCHEMBL31148972

SCHEMBL31148972

CC1CCC(C(C)C)C(N(CCCNCCCN(C)C)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.37
TRPA1 O75762 2/20 0.37
PAOX Q6QHF9 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DPP7 Q9UHL4 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL31105805 0.81 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL10413123 0.81 EPHX1 (0.40) TRPM8TRPA1EPHX1
SCHEMBL9753953 0.79 OPRM1 (0.42) TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL3383827 0.79 TRPM8 (0.41) TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL5680417 0.79 TRPM8 (0.47) TRPM8TRPA1EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL27721782 0.74 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL3053468 0.73 DNM1 (0.49) TDP1ALDH1A1
SCHEMBL5307491 0.73 TRPM8 (0.47) TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL6577889 0.72 TRPM8 (0.40) TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL2285485 0.72 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1

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-12104132-B2 Fuel additive compositions for gasoline direct injection engines THE LUBRIZOL CORPORATION (US) 2024-10-01 US claimed