SCHEMBL11489535

SCHEMBL11489535

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 9/20 0.46
▸ PTGER2 P43116 4/20 0.46
▸ PTGER4 P35408 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ABCC4 O15439 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCC3 O15438 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ RARG P13631 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10704057 1.00 PTGIR (0.46) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL10621605 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11482693 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11044232 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11044228 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11045463 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11399808 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL10621611 0.90 PTGIR (0.58) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11041426 0.81 PTGIR (0.45) PTGIRPTGER2PTGER4TSHRABCC4
SCHEMBL11406772 0.76 ALDH1A1 (0.31) PTGIRPTGER2PTGER4TSHRABCC4

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-0019475-A2 Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them TEIJIN LIMITED (JP) 1980-11-26 — — EP disclosed
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