SCHEMBL25264115

SCHEMBL25264115

C=C(CCCC=CC)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ SOAT1 P35610 3/20 0.35
▸ FAAH O00519 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ PPARG P37231 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ TOP1 P11387 2/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ F7 P08709 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL16033507 0.82 ALDH1A1 (0.31) KMT2ACYP3A4SOAT1MEN1ALDH1A1
SCHEMBL16033506 0.82 ALDH1A1 (0.31) KMT2ACYP3A4SOAT1MEN1ALDH1A1
SCHEMBL11124092 0.78 TDP1 (0.40) CYP1A2CYP2C19ALDH1A1LMNAALOX15
SCHEMBL5925120 0.77 FNTA (0.43) KMT2AFAAHCYP1A2CYP2C19PPARG
SCHEMBL1905045 0.77 — —
SCHEMBL13626153 0.77 — —
SCHEMBL1270703 0.77 — —
SCHEMBL14938454 0.77 — —
SCHEMBL1905047 0.77 — —
SCHEMBL1270704 0.77 — —

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
WO-2023083445-A1 COMPOSITIONS COMPRISING TRPM8 AGONISTIC COOLING AGENTS SYMRISE AG (DE) 2023-05-19 — — WO disclosed
Send feedback