SCHEMBL9480769

SCHEMBL9480769

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HKDC1 Q2TB90 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53
▸ PDE4D Q08499 7/20 0.51
▸ LMNA P02545 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PTGFR P43088 5/20 0.41
▸ PTGER3 P43115 3/20 0.41
▸ PTGER4 P35408 2/20 0.41
▸ TBXA2R P21731 2/20 0.41
▸ PTGER1 P34995 2/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ SLCO2A1 Q92959 1/20 0.41
▸ ABCC4 O15439 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
SCHEMBL9480759 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL10631786 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL10631782 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL10626353 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL10626358 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11159968 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11071519 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11071515 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11161330 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11431537 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204371-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-20 — — US disclosed
US-5079259-A PHARMACEUTICALLY ACTIVE 9-CHLOROPROSTAGLANDINS SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-07 — — US disclosed
US-4560786-A Δ8,9 -Prostaglandin derivatives, their preparation and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-12-24 — — US disclosed
US-4454339-A 9-Fluoroprostaglandin derivatives, and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1984-06-12 — — US disclosed
US-4444788-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-24 — — US disclosed
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