SCHEMBL11869680

SCHEMBL11869680

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ DNTT P04053 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ UCHL3 P15374 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ GALR3 O60755 1/20 0.36
▸ FFAR4 Q5NUL3 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
SCHEMBL11869689 1.00 TRPA1 (0.42) TRPA1NR4A2DNTTMAPTUCHL3
SCHEMBL11867721 0.92 TRPA1 (0.49) TRPA1NR4A2DNTTMAPTALDH1A1
SCHEMBL11867713 0.92 TRPA1 (0.49) TRPA1NR4A2DNTTMAPTALDH1A1
SCHEMBL11866505 0.83 TRPA1 (0.48) TRPA1NR4A2DNTTPPARGPPARD
SCHEMBL11866497 0.83 TRPA1 (0.48) TRPA1NR4A2DNTTPPARGPPARD
SCHEMBL11866585 0.82 DNTT (0.44) TRPA1NR4A2DNTTMAPTUCHL3
SCHEMBL11866575 0.82 DNTT (0.44) TRPA1NR4A2DNTTMAPTUCHL3
SCHEMBL11867811 0.79 DNTT (0.42) TRPA1NR4A2DNTTMAPTUCHL3
SCHEMBL11867800 0.79 DNTT (0.42) TRPA1NR4A2DNTTMAPTUCHL3
SCHEMBL11868556 0.79 TRPA1 (0.68) TRPA1NR4A2MAPTUCHL3HPGD

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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