SCHEMBL11865207

SCHEMBL11865207

CCCCCC(=O)/C=C/[C@H]1C=CC(=O)[C@H]1CCC(C)CC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.49
▸ NR4A2 P43354 2/20 0.49
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ POLA1 P09884 1/20 0.40
▸ PTGER2 P43116 4/20 0.36
▸ PTGER3 P43115 4/20 0.36
▸ PTGER4 P35408 3/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ DNTT P04053 1/20 0.35

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
SCHEMBL11857503 1.00 TRPA1 (0.49) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11865215 1.00 TRPA1 (0.49) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11870177 0.87 TRPA1 (0.63) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11870184 0.87 TRPA1 (0.63) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11870173 0.87 TRPA1 (0.63) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11862189 0.85 TRPA1 (0.54) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11862204 0.85 TRPA1 (0.54) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11862194 0.85 TRPA1 (0.54) TRPA1NR4A2POLBMEN1ALDH1A1
SCHEMBL11865248 0.80 PTGER2 (0.44) POLBMEN1KMT2APOLA1PTGER2
SCHEMBL11863937 0.80 PTGER2 (0.44) POLBMEN1KMT2APOLA1PTGER2

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-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 — — US disclosed
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