SCHEMBL11868652

SCHEMBL11868652

CCOC(=O)CCCCCC[C@@H]1C(=O)C=C[C@@H]1/C=C/C(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.57
▸ NR4A2 P43354 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PPARG P37231 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HIF1A Q16665 2/20 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
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TSHR P16473 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37

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
SCHEMBL11868668 1.00 TRPA1 (0.57) TRPA1NR4A2ALDH1A1ALOX15TDP1
SCHEMBL11868659 1.00 TRPA1 (0.57) TRPA1NR4A2ALDH1A1ALOX15TDP1
SCHEMBL11868889 0.87 TRPA1 (0.77) TRPA1NR4A2ALDH1A1PPARGMEN1
SCHEMBL14577827 0.87 TRPA1 (0.77) TRPA1NR4A2ALDH1A1PPARGMEN1
SCHEMBL11868897 0.87 TRPA1 (0.77) TRPA1NR4A2ALDH1A1PPARGMEN1
SCHEMBL11868893 0.87 TRPA1 (0.77) TRPA1NR4A2ALDH1A1PPARGMEN1
SCHEMBL11863887 0.85 TRPA1 (0.50) TRPA1NR4A2ALDH1A1ALOX15TDP1
SCHEMBL11863884 0.85 TRPA1 (0.50) TRPA1NR4A2ALDH1A1ALOX15TDP1
SCHEMBL11863889 0.85 TRPA1 (0.50) TRPA1NR4A2ALDH1A1ALOX15TDP1
SCHEMBL11871423 0.82 TRPA1 (0.55) TRPA1NR4A2ALDH1A1ALOX15TDP1

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
US-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 — — US disclosed
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