SCHEMBL11360893

SCHEMBL11360893

CCCCCOc1ccc(Cl)cc1C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
S1PR3 Q99500 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL11364359 0.95 ALDH1A1 (0.55) PTPN11ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL10592254 0.87 PTPN11 (0.66) PTPN11ALDH1A1TDP1L3MBTL1S1PR3
SCHEMBL8337247 0.85 MEN1 (0.65) PTPN11ALDH1A1TDP1L3MBTL1S1PR3
SCHEMBL3385153 0.84 TSHR (0.50) ALDH1A1MAPTMEN1LMNAHTR2B
SCHEMBL8154031 0.84 CYP3A4 (0.49) PTPN11ALDH1A1S1PR3MAPTMEN1
SCHEMBL20472214 0.84 MEN1 (0.51) PTPN11ALDH1A1S1PR3MAPTMEN1
SCHEMBL20472402 0.84 PTPN11 (0.51) PTPN11ALDH1A1TDP1S1PR3MAPT
SCHEMBL1153890 0.83 GAA (0.60) PTPN11ALDH1A1TDP1L3MBTL1S1PR3
SCHEMBL11370707 0.83 LMNA (0.49) ALDH1A1MAPTLMNAHTR2BHPGD
SCHEMBL8778447 0.82 MEN1 (0.51) PTPN11ALDH1A1S1PR3MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4278680-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US disclosed