SCHEMBL8145478

SCHEMBL8145478

CC1CCC(C(C)C)C(C(O)(C[N+](C)(C)C)P(=O)(O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KCNA5 P22460 1/20 0.40
LMNA P02545 2/20 0.40
TRPM8 Q7Z2W7 5/20 0.38
TRPA1 O75762 2/20 0.38
EPHX1 P07099 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP19A1 P11511 2/20 0.34
SERPINE1 P05121 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8148497 0.82 TRPM8 (0.39) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL8643093 0.75 ALDH1A1 (0.39) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL8146933 0.74 ALDH1A1 (0.38) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL8147103 0.72 EPHX1 (0.42) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL8639031 0.72 TRPM8 (0.40) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL8639602 0.71 FDPS (0.31)
SCHEMBL8141083 0.70 TRPM8 (0.38) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL30904661 0.68 TRPM8 (0.48) ALDH1A1KCNA5LMNATRPM8TRPA1
SCHEMBL5981079 0.68 TRPM8 (0.48) ALDH1A1KCNA5LMNATRPM8TRPA1
Bicarbonate SCHEMBL29029158 0.67 EPHX1 (0.45) KCNA5TRPM8TRPA1EPHX1TRPV1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000013690-A1 EXOCYCLIC-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 2000-03-16 WO claimed
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US claimed
WO-2000013690-A1 EXOCYCLIC-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed