SCHEMBL7654170

SCHEMBL7654170

Cc1c(COC(=O)N(c2ccccc2)c2cccnc2)cccc1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.52
NOTUM Q6P988 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGDR Q13258 1/20 0.43
EPHX1 P07099 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TBXAS1 P24557 2/20 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
SCHEMBL7111073 0.90 PTGIR (0.49) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7107090 0.84 PTGIR (0.48) PTGIRNOTUMEPHX1SGMS2
SCHEMBL7107093 0.84 PTGIR (0.48) PTGIRNOTUMEPHX1SGMS2
SCHEMBL7658900 0.78 DDB1 (0.43) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7650685 0.77 PTGIR (0.49) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7657611 0.77 PTGIR (0.49) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7658249 0.76 PTGIR (0.48) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7653485 0.76 PTGIR (0.48) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL7653394 0.75 PTGIR (0.46) PTGIRPTGDR2PTGER1PTGER3PTGDR
SCHEMBL27485430 0.74 L3MBTL1 (0.52) PTGIRPTGDR2PTGER1PTGER3PTGDR

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-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 US disclosed