SCHEMBL8208706

SCHEMBL8208706

C=C(C)C(O)c1ccccc1.CC(CO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.50
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 3/20 0.42
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
AOC3 Q16853 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL12468637 0.84 HPGD (0.63) HPGDLMNAMAPK1KDM4EALDH1A1
SCHEMBL2249346 0.84 HPGD (0.63) HPGDLMNAMAPK1KDM4EALDH1A1
SCHEMBL13849535 0.84 HPGD (0.63) HPGDLMNAMAPK1KDM4EALDH1A1
SCHEMBL60429 0.82 TRPA1 (0.68) TRPA1TAAR1LMNAAOC3KDM4E
SCHEMBL61000 0.82 TRPA1 (0.68) TRPA1TAAR1LMNAAOC3KDM4E
SCHEMBL1260 0.82 TRPA1 (0.68) TRPA1TAAR1LMNAAOC3KDM4E
SCHEMBL8976575 0.80 TRPA1 (0.65) TRPA1TAAR1LMNAAOC3KDM4E
Ammonia Solution, Strong SCHEMBL28122152 0.80 TRPA1 (0.65) TRPA1TAAR1LMNAAOC3KDM4E
Hydrochloric Acid SCHEMBL28757862 0.80 TRPA1 (0.65) TRPA1TAAR1LMNAAOC3KDM4E
Methane SCHEMBL27517092 0.80 TRPA1 (0.65) TRPA1TAAR1LMNAAOC3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053223-A1 SERINE CARBONATES Givaudan SA (CH) 2000-11-22 EP disclosed
WO-2000034232-A1 SERINE CARBONATES GIVAUDAN SA (CH) 2000-06-15 WO disclosed