SCHEMBL9812945

SCHEMBL9812945

COC(=O)COc1cccc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
FAAH O00519 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4076916 0.88 LMNA (0.62) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14548592 0.84 MTNR1A (0.46) KMT2AALDH1A1LMNAHSD17B10
SCHEMBL1438962 0.84 PPARA (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7293057 0.83 LMNA (0.72) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL31556370 0.83 LMNA (0.72) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14501385 0.83 PSEN1 (0.45) KMT2AALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL874138 0.82 KMT2A (0.62) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14407408 0.82 PPARG (0.44) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL7396086 0.82 KMT2A (0.61) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2832791 0.82 SMN1; SMN2 (0.59) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574605-B1 Processes for preparing cyclopentenones and cyclopentenones for the synthesis of benzindene prostaglandins CHIROGATE INT INC (TW) 2017-09-27 EP disclosed
EP-2574605-A1 Processes for preparing cyclopentenones and cyclopentenones for the synthesis of benzindene prostaglandins Chirogate International Inc. (TW) 2013-04-03 EP disclosed
US-8350090-B1 Processes for preparing cyclopentenones and cyclopentenones for the synthesis of benzindene prostaglandins CHIROGATE INTERNATIONAL INC. (TW) 2013-01-08 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
EP-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP disclosed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed