SCHEMBL10619366

SCHEMBL10619366

CCCCCC(O)/C=C/C1C=CC(=O)C1C(O)CCCCCC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.59
▸ NR4A2 P43354 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ PTPN7 P35236 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ PTGER4 P35408 6/20 0.45
▸ PTGER3 P43115 5/20 0.45
▸ MAPT P10636 1/20 0.43
▸ UCHL3 P15374 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43

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
SCHEMBL10619374 1.00 TRPA1 (0.59) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL10619546 0.88 TRPA1 (0.74) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL10619552 0.88 TRPA1 (0.74) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL9546451 0.86 TRPA1 (0.45) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL10621595 0.86 TRPA1 (0.52) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL10619417 0.85 TRPA1 (0.60) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL10619411 0.85 TRPA1 (0.60) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL11871813 0.85 TRPA1 (0.77) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL11871804 0.85 TRPA1 (0.77) TRPA1NR4A2ALDH1A1MEN1HPGD
SCHEMBL11871809 0.85 TRPA1 (0.77) TRPA1NR4A2ALDH1A1MEN1HPGD

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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