SCHEMBL4679715

SCHEMBL4679715

CC(C)(C(=O)OCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP26A1 O43174 1/20 0.44
ALOX5 P09917 1/20 0.44
PTPN1 P18031 3/20 0.43
PTPRC P08575 1/20 0.43
MAOB P27338 3/20 0.43
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
PPARG P37231 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL9423122 0.84 MAOB (0.47) ALDH1A1CYP26A1PTPN1MAOBKMT2A
SCHEMBL15910890 0.82 LMNA (0.54) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL23876183 0.82 ALDH1A1 (0.45) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL23876178 0.82 PTPN1 (0.45) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL13313606 0.81 MAOB (0.59) ALDH1A1ALOX5MAOBKMT2AL3MBTL1
SCHEMBL17472474 0.81 ALDH1A1 (0.47) ALDH1A1MAOBKMT2AMAPK1L3MBTL1
SCHEMBL27403227 0.81 MAOB (0.50) ALDH1A1MAOBKMT2AL3MBTL1MEN1
SCHEMBL23876180 0.79 KMT2A (0.50) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL23876186 0.79 NPC1 (0.49) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL228601 0.79 NR4A2 (0.51) ALDH1A1PTPN1PTPRCMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 US disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed