SCHEMBL11871813

SCHEMBL11871813

CCCCCC(O)C=CC1C=CC(=O)C1CCCCC(=O)OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.77
▸ NR4A2 P43354 3/20 0.77
▸ MEN1 O00255 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ NR4A1 P22736 1/20 0.58
▸ PTPN7 P35236 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PTGER2 P43116 4/20 0.49
▸ PTGER4 P35408 3/20 0.49
▸ PTGER3 P43115 3/20 0.49
▸ TSHR P16473 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48

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
SCHEMBL11871809 1.00 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11871804 1.00 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11868893 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL14577827 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11868889 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11868897 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
Prostaglandin A1 SCHEMBL23717317 0.87 TRPA1 (1.00) TRPA1NR4A2MEN1LMNAHPGD
Prostaglandin A1 SCHEMBL14577651 0.87 TRPA1 (1.00) TRPA1NR4A2MEN1LMNAHPGD
Prostaglandin A1 SCHEMBL22425783 0.87 TRPA1 (1.00) TRPA1NR4A2MEN1LMNAHPGD
Prostaglandin A1 SCHEMBL8347686 0.87 TRPA1 (1.00) TRPA1NR4A2MEN1LMNAHPGD

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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