SCHEMBL1999543

SCHEMBL1999543

CCCCOc1ccccc1C(=O)O.[Zn]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 4/20 0.67
PTK2B Q14289 1/20 0.67
MEN1 O00255 3/20 0.62
KDM4E B2RXH2 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
RECQL P46063 1/20 0.62
NR1I2 O75469 1/20 0.62
CHRM2 P08172 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADRA2A P08913 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
PTPN11 Q06124 2/20 0.58
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL29994009 0.98 KMT2A (0.69) KMT2AALDH1A1PTK2BMEN1KDM4E
Benzene SCHEMBL28006345 0.98 KMT2A (0.69) KMT2AALDH1A1PTK2BMEN1KDM4E
SCHEMBL301123 0.98 KMT2A (0.69) KMT2AALDH1A1PTK2BMEN1KDM4E
Bicarbonate SCHEMBL29943962 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E
Bicarbonate SCHEMBL20694840 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E
Benzene SCHEMBL28294580 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E
SCHEMBL4649029 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E
SCHEMBL3864160 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E
Benzene SCHEMBL28075108 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E
Bicarbonate SCHEMBL237562 0.97 KMT2A (0.67) KMT2AALDH1A1PTK2BMEN1KDM4E

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
JP-10286825-A None JP disclosed
US-20110151255-A1 NANOFIBER AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-06-23 US disclosed
JP-H10286825-A METHOD FOR CONVEYING AND/OR MELT-KNEADING POWDER MITSUBISHI CHEM CORP 1998-10-27 JP disclosed
US-3983292-A Pressure sensitive recording papers SANKO CHEMICAL COMPANY LTD. (JA) 1976-09-28 US disclosed