SCHEMBL27929972

SCHEMBL27929972

O=C(O)c1cccc(Oc2cccc(Oc3cccc(Oc4cccc(C(=O)O)c4C(=O)O)c3Oc3cccc(C(=O)O)c3C(=O)O)c2Oc2cccc(C(=O)O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
KDM4E B2RXH2 8/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
ALDH1A1 P00352 7/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL29395127 0.92 HTT (0.53) HTTMAPK1CA12CA1CA2
SCHEMBL143861 0.92 HTT (0.53) HTTMAPK1CA12CA1CA2
SCHEMBL1457340 0.92 CTNNB1 (0.50) HTTMAPK1KDM4EHPGDHSD17B10
Water SCHEMBL7618236 0.90 HTT (0.52) HTTMAPK1CA12CA1CA2
SCHEMBL6003587 0.89 HTT (0.59) HTTMAPK1CA12CA1CA2
SCHEMBL28260571 0.87 HTT (0.62) HTTMAPK1CA12CA1CA2
SCHEMBL30815836 0.86 AKR1C3 (0.54) HTTMAPK1KDM4EHPGDHSD17B10
SCHEMBL4649585 0.86 AKR1C3 (0.54) HTTMAPK1KDM4EHPGDHSD17B10
SCHEMBL10699812 0.86 HNF4A (0.49) HTTMAPK1CA12CA1CA2
SCHEMBL3826756 0.85 HTT (0.65) HTTMAPK1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694702-A Polyimide solvent cast films having a low coefficient of thermal expansion and method of manufacture thereof SABIC INNOVATIVE PLASTICS IP 2014-04-02 CN claimed
CN-101627074-B Articles comprising polyimide solvent cast film having low coefficient of thermal expansion and method of manufacture thereof SABIC INNOVATIVE PLASTICS IP 2014-02-12 CN claimed
CN-102947389-B Transparent polyimide-polyester compositions, methods of making, and articles SABIC INNOVATIVE PLASTICS IP 2014-11-05 CN disclosed
CN-103890063-A Polyetherimide/ poly(biphenyl ether sulfone) foam materials SOLVAY SPECIALTY POLYMERS USA 2014-06-25 CN disclosed
CN-103694702-A Polyimide solvent cast films having a low coefficient of thermal expansion and method of manufacture thereof SABIC INNOVATIVE PLASTICS IP 2014-04-02 CN disclosed
CN-101627074-B Articles comprising polyimide solvent cast film having low coefficient of thermal expansion and method of manufacture thereof SABIC INNOVATIVE PLASTICS IP 2014-02-12 CN disclosed
CN-102516600-B Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP 2013-12-25 CN disclosed
CN-103476871-A Flame retardant poly (siloxane) copolymer compositions, methods of manufacture, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP 2013-12-25 CN disclosed