SCHEMBL10622134

SCHEMBL10622134

CCCCC(C)CC(O)/C=C/C1C=CC(=O)C1C(O)CCC/C=C/C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NR4A2 P43354 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ UCHL3 P15374 1/20 0.42
▸ PTGIR P43119 2/20 0.38
▸ PTGER4 P35408 3/20 0.36
▸ PTGER3 P43115 3/20 0.36
▸ PTGER2 P43116 3/20 0.36
▸ GALR3 O60755 1/20 0.35
▸ ACHE P22303 1/20 0.33

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
SCHEMBL10622139 1.00 TRPA1 (0.47) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10619378 0.90 TRPA1 (0.43) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10619386 0.90 TRPA1 (0.43) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10704802 0.88 TRPA1 (0.60) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10624155 0.88 TRPA1 (0.60) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL958152 0.86 TRPA1 (0.57) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL958153 0.86 TRPA1 (0.57) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10622141 0.85 TRPA1 (0.59) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10622137 0.85 TRPA1 (0.59) TRPA1HPGDALDH1A1MEN1LMNA
SCHEMBL10619396 0.78 TRPA1 (0.36) TRPA1HPGDALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4766147-A ANTITUMOR AGENTS TEIJIN LIMITED (JP) 1988-08-23 — — US disclosed
EP-0106576-B1 NOVEL 5-MEMBERED CYCLIC COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND PHARMACEUTICAL USE THEREOF TEIJIN LIMITED (JP) 1988-03-09 — — EP disclosed
EP-0106576-A2 Novel 5-membered cyclic compounds, process for the production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1984-04-25 — — EP disclosed
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