SCHEMBL8668693

SCHEMBL8668693

O=C(O)CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1C=CCCCCCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.62
▸ HPGD P15428 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ NR4A1 P22736 1/20 0.62
▸ PTPN7 P35236 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ MAPT P10636 4/20 0.45
▸ UCHL3 P15374 1/20 0.45
▸ NR4A2 P43354 2/20 0.43
▸ MIF P14174 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GALR3 O60755 1/20 0.39
▸ PTGER2 P43116 6/20 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
SCHEMBL7516435 1.00 TRPA1 (0.62) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8903380 0.89 TRPA1 (0.77) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL8903382 0.89 TRPA1 (0.77) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL11614322 0.89 TRPA1 (0.77) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL11697876 0.87 TRPA1 (0.57) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL11806516 0.78 ALDH1A1 (0.98) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL11503695 0.78 TRPA1 (0.73) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL14577648 0.77 TRPA1 (0.72) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL3958688 0.77 ALDH1A1 (0.59) TRPA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL3958690 0.77 ALDH1A1 (0.59) TRPA1HPGDMEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773654-A 7-(5-substituted cyclopentyl) and (5-substituted cyclopentenyl) heptyl alcohols, heptylamines and heptanoic acid amides, and method of lowering intraocular pressure in the eye of a mammal by administration of these compounds ALLERGAN (US) 1998-06-30 — — US disclosed
US-5674910-A 7-(5-substituted cyclopentyl) and (5-substituted cyclopentenyl) heptyl alcohols, heptylamines and heptanoic acid amides, and method of lowering intraocular pressure in the eye of a mammal by administration of these novel compounds ALLERGAN (US) 1997-10-07 — — US disclosed
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