SCHEMBL22489095

SCHEMBL22489095

CCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C[C@@H](C)CCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 10/20 0.67
▸ PTGER2 P43116 4/20 0.67
▸ TSHR P16473 3/20 0.67
▸ PTGER4 P35408 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ ABCC4 O15439 2/20 0.67
▸ LMNA P02545 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 0.53
▸ NR1I2 O75469 1/20 0.53

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
SCHEMBL960741 0.92 PTGIR (0.78) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL23352919 0.92 PTGIR (0.78) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL5965091 0.92 PTGIR (0.78) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL23353170 0.92 PTGIR (0.57) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL960482 0.91 PTGIR (0.83) PTGIRPTGER2TSHRPTGER4HPGD
Limaprost SCHEMBL23352904 0.88 PTGIR (0.59) PTGIRPTGER2TSHRPTGER4HPGD
Limaprost SCHEMBL960149 0.88 PTGIR (0.59) PTGIRPTGER2TSHRPTGER4HPGD
Limaprost SCHEMBL24342042 0.88 PTGIR (0.59) PTGIRPTGER2TSHRPTGER4HPGD
Limaprost SCHEMBL20815450 0.88 PTGIR (0.59) PTGIRPTGER2TSHRPTGER4HPGD
Limaprost SCHEMBL373011 0.88 PTGIR (0.59) PTGIRPTGER2TSHRPTGER4HPGD

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
WO-2020195437-A1 METHOD FOR PRODUCING PKROSTAGLANDIN 協和ファーマケミカル株式会社 2020-10-01 — — WO disclosed
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