SCHEMBL10756355

SCHEMBL10756355

OCC=Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
NPC1 O15118 3/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL14460086 1.00 SIRT2 (0.45) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL7516473 0.81 ALDH1A1 (0.45) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL10090559 0.81 ALDH1A1 (0.45) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL6536579 0.81 SIRT2 (0.38) SIRT2MAPTALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL2960051 0.79 ALDH1A1 (0.43) SIRT2MAPTALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL2960053 0.79 ALDH1A1 (0.43) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL7524897 0.76 MAPT (0.44) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL6299978 0.75 ALDH1A1 (0.39) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL8148121 0.75 ALDH1A1 (0.39) SIRT2MAPTALDH1A1KDM4EKMT2A
SCHEMBL7120357 0.75 ALDH1A1 (0.44) MAPTALDH1A1KDM4EKMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110224056-A A kind of flexibility thermal electric film and preparation method thereof 武汉工程大学 2019-09-10 CN claimed
CN-1198435-A Method for producing fluorescent whitening agent CIBA GEIGY AG (CH) 1998-11-11 CN claimed
CN-1198435-A Method for producing fluorescent whitening agent CIBA GEIGY AG (CH) 1998-11-11 CN disclosed
US-4677213-A GLYCOLALDEHYDES REACTED WITH AMINES RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1987-06-30 US disclosed