SCHEMBL11351983

SCHEMBL11351983

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.84
ALDH1A1 P00352 5/20 0.84
PTGFR P43088 5/20 0.84
LMNA P02545 4/20 0.84
PTGER4 P35408 3/20 0.84
PTGER1 P34995 3/20 0.84
PTGER3 P43115 3/20 0.84
SLCO2A1 Q92959 2/20 0.84
PTGDR Q13258 1/20 0.84
HPGD P15428 3/20 0.73
ABCC4 O15439 1/20 0.73
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
TSHR P16473 2/20 0.68
MAPK1 P28482 2/20 0.68
HIF1A Q16665 1/20 0.68
KDM4E B2RXH2 1/20 0.67
HKDC1 Q2TB90 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SAE1 Q9UBE0 1/20 0.67

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
Dinoprost SCHEMBL9444033 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL18027080 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL1650065 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL23352774 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL13905976 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL25329567 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL19409794 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL23352547 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL22085922 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4
Dinoprost SCHEMBL4916605 0.92 PTGFR (1.00) TBXA2RALDH1A1PTGFRLMNAPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256745-A OXYTOCICS; DURABILITY SCHERING AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4159343-A ABORTIFICANTS, LABOR INDUCTION, MENSTRUAL CYCLE REGULATION SCHERING AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4105792-A OXYTOCICS, ABORTION INDUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed