SCHEMBL9781655

SCHEMBL9781655

CCCC[C@@](C)(OC)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 12/20 0.67
▸ PTGER2 P43116 5/20 0.67
▸ TSHR P16473 3/20 0.67
▸ PTGER4 P35408 3/20 0.67
▸ ABCC4 O15439 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ABCC3 O15438 1/20 0.67
▸ RARB P10826 1/20 0.67
▸ RARG P13631 1/20 0.67
▸ DRD1 P21728 1/20 0.67
▸ NR4A2 P43354 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ PGR P06401 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57

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
SCHEMBL10589373 1.00 PTGIR (0.67) PTGIRPTGER2TSHRPTGER4ABCC4
SCHEMBL9651264 1.00 PTGIR (0.67) PTGIRPTGER2TSHRPTGER4ABCC4
SCHEMBL10589368 1.00 PTGIR (0.67) PTGIRPTGER2TSHRPTGER4ABCC4
Mexiprostil SCHEMBL15153215 0.92 LMNA (0.68) PTGIRPTGER2TSHRPTGER4ABCC4
Mexiprostil SCHEMBL10920583 0.92 LMNA (0.68) PTGIRPTGER2TSHRPTGER4ABCC4
Mexiprostil SCHEMBL564156 0.92 LMNA (0.68) PTGIRPTGER2TSHRPTGER4ABCC4
SCHEMBL23352769 0.89 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4ABCC4
SCHEMBL11865322 0.89 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4ABCC4
SCHEMBL11865329 0.89 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4ABCC4
SCHEMBL11865340 0.89 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4ABCC4

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-5055592-A NOVEL PROCESS AND INTERMEDIATES MERRELL DOW PHARMACEUTICALS (US) 1991-10-08 — — US disclosed
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