SCHEMBL11870177

SCHEMBL11870177

CCCCCC(O)C=C[C@H]1C=CC(=O)[C@H]1CCC(C)CC(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.63
▸ NR4A2 P43354 3/20 0.63
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ NR4A1 P22736 1/20 0.55
▸ PTPN7 P35236 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MAPT P10636 1/20 0.43
▸ UCHL3 P15374 1/20 0.43
▸ PTGER3 P43115 3/20 0.42
▸ PTGER4 P35408 3/20 0.42
▸ PTGIR P43119 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PTGER2 P43116 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL11870184 1.00 TRPA1 (0.63) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11870173 1.00 TRPA1 (0.63) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11865215 0.87 TRPA1 (0.49) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11857503 0.87 TRPA1 (0.49) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11865207 0.87 TRPA1 (0.49) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11871813 0.86 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11871809 0.86 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11871804 0.86 TRPA1 (0.77) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11868551 0.81 TRPA1 (0.68) TRPA1NR4A2MEN1LMNAHPGD
SCHEMBL11868547 0.81 TRPA1 (0.68) 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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