SCHEMBL30987407

SCHEMBL30987407

CC(C)C(CCCCCCCCCCC(C(C)C)C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL16779862 0.87 OPRM1 (0.50) LMNAOPRM1SPHK1
SCHEMBL22471943 0.87 OPRM1 (0.50) LMNAOPRM1SPHK1
SCHEMBL7122697 0.83 OPRM1 (0.52) LMNAOPRM1SPHK1
SCHEMBL16553628 0.83 MEN1 (0.34) LMNASPHK1
SCHEMBL504336 0.81 NFKB1 (0.41) LMNATRPV1
SCHEMBL4654330 0.79 DNM1 (0.43) LMNAOPRM1
SCHEMBL10642390 0.77 ALDH1A1 (0.33) OPRM1SPHK1
SCHEMBL10785769 0.76 TRPV1 (0.39) LMNATRPV1TRPA1OPRM1SPHK1
SCHEMBL12787677 0.76 EPHX1 (0.42) LMNA
SCHEMBL640973 0.76 NFKB1 (0.35) LMNATRPV1TRPA1

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
CN-118139756-A Dual-purpose coolant and lubricant 康明斯公司 2024-06-04 CN disclosed