SCHEMBL7104178

SCHEMBL7104178

COC(=O)COc1cccc(CO)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PPARD Q03181 1/20 0.44
ADRB3 P13945 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS2 P35354 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
PLA2G1B P04054 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL10422938 0.84 PPARD (0.55) LMNAPPARDKMT2AMEN1CYP1A2
SCHEMBL7994085 0.83 MAPK1 (0.46) LMNAPPARDKMT2AMEN1CYP1A2
SCHEMBL8816518 0.83 LMNA (0.58) LMNAKMT2AMEN1CYP1A2PTGS2
SCHEMBL4336493 0.77 ALDH1A1 (0.45) LMNAKMT2AMEN1MAPTNPSR1
SCHEMBL7672640 0.77 PDE4A (0.44) LMNAKMT2AMEN1PTGS2MAPT
SCHEMBL16954536 0.76 KDM4E (0.43) LMNAKMT2AMEN1CYP1A2MAPT
SCHEMBL6587328 0.76 PPARD (0.53) LMNAPPARDKMT2AMEN1CYP1A2
SCHEMBL10506317 0.76 SMN1; SMN2 (0.60) LMNAPPARDKMT2AMEN1CYP1A2
SCHEMBL7650676 0.76 PTGIR (0.39) LMNAPPARDKMT2AMEN1CYP1A2
SCHEMBL7963964 0.76 LMNA (0.46) LMNAPPARDKMT2AMEN1CYP1A2

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
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
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
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed