SCHEMBL11862194

SCHEMBL11862194

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.54
▸ NR4A2 P43354 2/20 0.54
▸ POLB P06746 3/20 0.45
▸ POLA1 P09884 1/20 0.45
▸ PPARG P37231 4/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PTGER2 P43116 4/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ OXER1 Q8TDS5 2/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ DNTT P04053 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ ABCB11 O95342 1/20 0.42

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
SCHEMBL11862189 1.00 TRPA1 (0.54) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11862204 1.00 TRPA1 (0.54) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11871423 0.89 TRPA1 (0.55) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11871421 0.89 TRPA1 (0.55) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11869089 0.89 TRPA1 (0.55) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11865207 0.85 TRPA1 (0.49) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11865215 0.85 TRPA1 (0.49) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11857503 0.85 TRPA1 (0.49) TRPA1NR4A2POLBPOLA1PPARG
SCHEMBL11871813 0.84 TRPA1 (0.77) TRPA1NR4A2POLBPPARGPPARD
SCHEMBL11871804 0.84 TRPA1 (0.77) TRPA1NR4A2POLBPPARGPPARD

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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