SCHEMBL9011441

SCHEMBL9011441

C(=Cc1ccccc1)OC1(OC=Cc2ccccc2)OO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
RELA Q04206 1/20 0.39
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 2/20 0.38
HDAC3 O15379 1/20 0.37
TNKS O95271 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL175339 0.72 MAOB (0.55) MAOBRELATRPA1ALDH1A1LMNA
SCHEMBL367481 0.72 MAOB (0.55) MAOBRELATRPA1ALDH1A1LMNA
SCHEMBL175340 0.72 MAOB (0.55) MAOBRELATRPA1ALDH1A1LMNA
SCHEMBL4358099 0.70 MAOB (0.46) MAOBRELATRPA1ALDH1A1LMNA
SCHEMBL14681134 0.69 TRPA1 (0.54) MAOBRELATRPA1ALDH1A1NFE2L2
SCHEMBL1399923 0.69 TRPA1 (0.54) MAOBRELATRPA1ALDH1A1NFE2L2
SCHEMBL11314805 0.69 IDO1 (0.52) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL3625300 0.69 MAOB (0.50) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL15709852 0.69 MAOB (0.50) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL1684173 0.69 MAOB (0.50) MAOBRELATRPA1ALDH1A1LMNA

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-5556691-A Biaxially oriented laminated polyester film and magnetic recording medium having the same as base film TEIJIN LIMITED (JP) 1996-09-17 US disclosed