SCHEMBL11867713

SCHEMBL11867713

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.49
▸ NR4A2 P43354 2/20 0.49
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ DNTT P04053 1/20 0.42
▸ PTGER2 P43116 4/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ DAGLA Q9Y4D2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TBXA2R P21731 1/20 0.39
▸ PTGFR P43088 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ DUSP3 P51452 1/20 0.39

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
SCHEMBL11867721 1.00 TRPA1 (0.49) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11869689 0.92 TRPA1 (0.42) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11869680 0.92 TRPA1 (0.42) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11866497 0.89 TRPA1 (0.48) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11866505 0.89 TRPA1 (0.48) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11861462 0.87 TRPA1 (0.43) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11861471 0.87 TRPA1 (0.43) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11866149 0.84 PPARG (0.48) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11866141 0.84 PPARG (0.48) TRPA1NR4A2PPARGPPARDPPARA
SCHEMBL11867328 0.83 PPARG (0.46) TRPA1NR4A2PPARGPPARDPPARA

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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