SCHEMBL14035899

SCHEMBL14035899

CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 1/20 0.48
▸ TRPA1 O75762 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PPARG P37231 3/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NR4A2 P43354 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ UCHL3 P15374 1/20 0.37
▸ NFKB1 P19838 4/20 0.34
▸ NFKB2 Q00653 4/20 0.34

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
SCHEMBL14538124 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL4316052 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL2586056 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL594566 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL2984928 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL30963742 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL31138123 0.85 PPARG (0.49) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL12643586 0.78 DNTT (0.51) DNTTTRPA1PPARGPPARDPPARA
SCHEMBL14389381 0.77 PGR (0.50) DNTTTRPA1ALDH1A1HPGDMEN1
SCHEMBL2948519 0.76 TRPA1 (0.61) TRPA1ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992216-A1 DISEASE CONTROL METHOD AND DISEASE CONTROL DEVICE Shikoku Research Institute Incorporated (JP) 2008-11-19 — — EP disclosed
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