SCHEMBL4680703

SCHEMBL4680703

CC(C)C(=O)Oc1ccc(N(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.61
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MCL1 Q07820 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 6/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ESR2 Q92731 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL21416281 0.89 ELANE (0.50) ELANEALDH1A1MAPTKDM4ETP53
SCHEMBL27799076 0.87 ELANE (0.46) ELANEALDH1A1MAPTKDM4ETP53
SCHEMBL21795326 0.85 ELANE (0.79) ELANEALDH1A1MAPTHSD17B10LMNA
SCHEMBL2170993 0.82 LMNA (0.59) ELANEALDH1A1MAPTKDM4ETP53
SCHEMBL12571954 0.80 ELANE (0.63) ELANEALDH1A1MAPTKDM4ELMNA
SCHEMBL21325759 0.79 ELANE (0.70) ELANEMAPTHSD17B10LMNATDP1
SCHEMBL12616903 0.78 ELANE (0.68) ELANEALDH1A1LMNAMEN1KMT2A
SCHEMBL891415 0.78 ELANE (0.68) ELANEALDH1A1LMNAMEN1KMT2A
SCHEMBL5186261 0.78 ELANE (0.68) ELANEMAPTKDM4ELMNATDP1
SCHEMBL11841636 0.78 MAPT (0.56) ELANEALDH1A1MAPTKDM4ETP53

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 9 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
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
CN-1079648-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
CN-1048039-A Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1990-12-26 CN disclosed