SCHEMBL4258727

SCHEMBL4258727

O=C1OC(c2ccccc2)(c2ccccc2)c2c1cccc2-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.59
GOPC Q9HD26 1/20 0.59
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
TYMS P04818 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 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
SCHEMBL1680040 0.77 ALDH1A1 (0.58) CFTRGOPCGAANPSR1LMNA
SCHEMBL3885343 0.75 CFTR (0.51) CFTRGOPCGAANPSR1LMNA
SCHEMBL3886398 0.75 CFTR (1.00) CFTRGOPCGAANPSR1LMNA
SCHEMBL3885344 0.74 CFTR (0.39) CFTRGOPCGAANPSR1LMNA
SCHEMBL11498031 0.71 NPC1 (0.52) CFTRGOPCLMNASMN1; SMN2ALDH1A1
SCHEMBL5999539 0.68 ALDH1A1 (0.66) CFTRGOPCGAALMNAPKM
Phenolphthalein SCHEMBL28074322 0.68 MAPT (0.88) CFTRGOPCGAANPSR1LMNA
SCHEMBL7635908 0.68 CFTR (0.56) CFTRGOPCGAANPSR1LMNA
SCHEMBL1026183 0.68 MEN1 (0.63) CFTRGOPCGAALMNAPKM
Phenolphthalein SCHEMBL23754817 0.67 MAPT (0.85) CFTRGOPCGAANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85107391-A PHOTOSENSITIVE COMPOSITION 1986-07-09 CN claimed
CN-112469450-A Thermoplastic implant materials 沙特高性能聚合物和塑料全球技术公司 2021-03-09 CN disclosed
US-20090212237-A1 COMPOSITION FOR DETERMINATION OF IONIZING RADIATION ABSORBED DOSE AND USE THEREOF SAKATA INX CORP. (JP) 2009-08-27 US disclosed
JP-2003231830-A INK COMPOSITION FOR DISPLAY OF HIGH-PRESSURE STEAM STERILIZATION TOYO SEIKAN KAISHA LTD 2003-08-19 JP disclosed
JP-2000346946-A INDICATOR SHEET FOR HISTORY OF RADIATION DOSE TOMOEGAWA PAPER CO LTD 2000-12-15 JP disclosed
EP-0395006-B1 Display composition, coloring pigment, and recording material SONY CORP (JP) 1994-08-31 EP disclosed
US-5179065-A Recording material with a display composition including a coloring pigment SONY CORPORATION (JP) 1993-01-12 US disclosed
US-5160371-A Leuco dye and quaternized clay SONY CORPORATION (JP) 1992-11-03 US disclosed
EP-0395006-A2 Display composition, coloring pigment, and recording material SONY CORPORATION (JP) 1990-10-31 EP disclosed