SCHEMBL7659411

SCHEMBL7659411

Cc1c(OCC(=O)O)cccc1C(C)OC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
PTGIR P43119 7/20 0.43
PTGDR Q13258 3/20 0.43
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL7112407 0.81 ATM (0.41) L3MBTL1PTGIRPOLBTDP1MEN1
SCHEMBL8156825 0.80 L3MBTL1 (0.49) L3MBTL1GLAPTGIRPTGDRPTGER1
SCHEMBL7111073 0.76 PTGIR (0.49) L3MBTL1GLAPTGIRPTGDRPTGER1
SCHEMBL11058318 0.73 ATM (0.41) L3MBTL1ALDH1A1HPGDTDP1CHRM4
SCHEMBL9728263 0.73 HCAR2 (0.51) L3MBTL1ALDH1A1TDP1CHRM4CHRM3
SCHEMBL27485430 0.73 L3MBTL1 (0.52) L3MBTL1GLAPTGIRPTGDRPTGER1
SCHEMBL5379717 0.72 L3MBTL1 (0.63) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL4575987 0.72 L3MBTL1 (0.65) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL7109794 0.71 PTGIR (0.45) L3MBTL1GLAPTGIRPTGDRPTGER1
SCHEMBL7107860 0.71 PTGIR (0.45) L3MBTL1GLAPTGIRPTGDRPTGER1

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