SCHEMBL7657611

SCHEMBL7657611

O=C(O)COc1cccc(COC(=O)N(c2ccccc2)c2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.49
PTGDR Q13258 7/20 0.49
PTGER3 P43115 3/20 0.49
PTGER1 P34995 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
PTGER4 P35408 2/20 0.39
PTGER2 P43116 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
SCHEMBL7650685 0.85 PTGIR (0.49) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7111073 0.85 PTGIR (0.49) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7653485 0.84 PTGIR (0.48) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7658249 0.84 PTGIR (0.48) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7653394 0.81 PTGIR (0.46) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7104991 0.80 ATM (0.41) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7104989 0.80 ATM (0.41) PTGIRPTGDRPTGER3PTGER1L3MBTL1
Tert-Butylamine SCHEMBL7655093 0.78 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL17092997 0.78 ATM (0.53) PTGIRPTGDRPTGER3PTGER1L3MBTL1
SCHEMBL7654170 0.77 PTGIR (0.52) PTGIRPTGDRPTGER3PTGER1L3MBTL1

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