SCHEMBL11874758

SCHEMBL11874758

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.49
▸ NR4A2 P43354 2/20 0.49
▸ PPARG P37231 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NR4A1 P22736 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ DNTT P04053 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLA1 P09884 1/20 0.36

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
SCHEMBL11874755 1.00 TRPA1 (0.49) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11874762 1.00 TRPA1 (0.49) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11871423 0.93 TRPA1 (0.55) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11871421 0.93 TRPA1 (0.55) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11869089 0.93 TRPA1 (0.55) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11862204 0.84 TRPA1 (0.54) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11862189 0.84 TRPA1 (0.54) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11862194 0.84 TRPA1 (0.54) TRPA1NR4A2PPARGALDH1A1POLB
SCHEMBL11868547 0.83 TRPA1 (0.68) TRPA1NR4A2ALDH1A1POLBNR4A1
SCHEMBL11868551 0.83 TRPA1 (0.68) TRPA1NR4A2ALDH1A1POLBNR4A1

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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