SCHEMBL10623993

SCHEMBL10623993

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.58
▸ NR4A2 P43354 3/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ PTPN7 P35236 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ NR4A1 P22736 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ MAPT P10636 1/20 0.52
▸ UCHL3 P15374 1/20 0.52
▸ FFAR1 O14842 2/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.49
▸ PPARG P37231 4/20 0.48
▸ GPR132 Q9UNW8 1/20 0.48
▸ F7 P08709 3/20 0.47
▸ F3 P13726 3/20 0.47

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
SCHEMBL10622109 1.00 TRPA1 (0.58) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10624001 1.00 TRPA1 (0.58) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10622112 1.00 TRPA1 (0.58) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10619906 0.90 TRPA1 (0.52) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10619911 0.90 TRPA1 (0.52) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10619552 0.88 TRPA1 (0.74) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10619546 0.88 TRPA1 (0.74) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10619311 0.87 TRPA1 (0.46) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10619318 0.87 TRPA1 (0.46) TRPA1NR4A2ALDH1A1LMNAHPGD
SCHEMBL10622026 0.86 MAPT (0.58) TRPA1NR4A2ALDH1A1LMNAHPGD

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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