SCHEMBL10654908

SCHEMBL10654908

C/C(Cl)=C/CC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL10836000 1.00 ALDH1A1 (0.39) ALDH1A1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL10836004 1.00 ALDH1A1 (0.39) ALDH1A1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL701982 0.82 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL18168747 0.82 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL9282430 0.82 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL10965683 0.81 FNTA (0.48) ALDH1A1CYP1A2GRIK1GRIK2FNTA
SCHEMBL11093508 0.81 FNTA (0.48) ALDH1A1CYP1A2GRIK1GRIK2FNTA
SCHEMBL10965678 0.81 FNTA (0.48) ALDH1A1CYP1A2GRIK1GRIK2FNTA
SCHEMBL132111 0.81 GRIK1 (0.48) ALDH1A1GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL2108415 0.78 SLC1A3 (0.41) ALDH1A1CYP1A2GRIK1GRIK2FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059158-B1 AZA PROSTACYCLINS, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 EP disclosed
US-4567195-A Azaprostacyclins, their preparation and pharmaceutical use SCHERING, AKTIENGESELLSCHAFT (DE) 1986-01-28 US disclosed
EP-0094951-B1 NEW PROSTACYCLINS AND PREPARATION METHOD THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-30 EP disclosed
US-4532236-A Certain prostacyclins and their blood-pressure-lowering and thrombocyte-aggregation-inhibiting compositions and methods SCHERING AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
US-4446147-A Azaprostacyclins, their preparation and pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1984-05-01 US disclosed
EP-0094951-A1 NEW PROSTACYCLINS AND PREPARATION METHOD THEREOF. SCHERING AG (DE) 1983-11-30 EP disclosed
WO-1983001951-A1 NEW PROSTACYCLINS AND PREPARATION METHOD THEREOF NICKOLSON, ROBERT 1983-06-09 WO disclosed
EP-0059158-A2 Aza prostacyclins, their preparation and therapeutic applications SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-01 EP disclosed