SCHEMBL11158708

SCHEMBL11158708

CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](S)C[C@H]1OC1CCCCO1)OC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HKDC1 Q2TB90 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ PTGER4 P35408 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TBXA2R P21731 4/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGFR P43088 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ SLCO2A1 Q92959 1/20 0.39

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
SCHEMBL11177219 0.92 PDE4D (0.62) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL10426317 0.91 PDE4D (0.53) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL10425478 0.91 PDE4D (0.53) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7667420 0.89 PDE4D (0.54) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7667423 0.89 PDE4D (0.54) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7667425 0.89 PDE4D (0.54) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11115530 0.89 PDE4D (0.62) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11158756 0.89 PDE4D (0.52) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11158105 0.88 ALDH1A1 (0.45) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7672718 0.88 PDE4D (0.57) 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-4367237-A THIOPGI-1 DERIVATIVES; OXYTOCICS; PREFERENTIAL ONO PHARMACEUTICAL CO., LTD. (JP) 1983-01-04 — — US disclosed
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