SCHEMBL10619911

SCHEMBL10619911

CCCCC(C)CCC=CC1C=CC(=O)C1C(O)CCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.52
▸ NR4A2 P43354 2/20 0.52
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MAPT P10636 2/20 0.44
▸ UCHL3 P15374 1/20 0.44
▸ GALR3 O60755 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38

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
SCHEMBL10619906 1.00 TRPA1 (0.52) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10622112 0.90 TRPA1 (0.58) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10623993 0.90 TRPA1 (0.58) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10624001 0.90 TRPA1 (0.58) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10622109 0.90 TRPA1 (0.58) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10622137 0.86 TRPA1 (0.59) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10622141 0.86 TRPA1 (0.59) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10619552 0.82 TRPA1 (0.74) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10619546 0.82 TRPA1 (0.74) TRPA1NR4A2HPGDMEN1ALDH1A1
SCHEMBL10622079 0.77 TRPA1 (0.56) TRPA1NR4A2HPGDMEN1ALDH1A1

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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