SCHEMBL10974188

SCHEMBL10974188

CCCCC[C@@H](C=C[C@@H]1[C@@H](CCCCCCC(=O)OC)[C@@H](O)C[C@H]1OC1CCCCO1)OC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ PTGER2 P43116 5/20 0.37
▸ TBXA2R P21731 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ABCC3 O15438 1/20 0.34

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
SCHEMBL10974182 1.00 PDE4D (0.47) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL10954595 0.92 ALDH1A1 (0.54) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL10424947 0.92 PTGER2 (0.41) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL10426182 0.92 PTGER2 (0.41) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11378893 0.92 PDE4D (0.46) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11158514 0.91 PDE4D (0.49) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11160487 0.91 PDE4D (0.49) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11762189 0.90 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL9482414 0.90 PDE4D (0.41) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL9482417 0.90 PDE4D (0.41) PDE4DALDH1A1KDM4EHKDC1TDP1

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-4560786-A Δ8,9 -Prostaglandin derivatives, their preparation and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-12-24 — — US disclosed
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