SCHEMBL6431027

SCHEMBL6431027

CCC[C@@H](C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
FPR2 P25090 1/20 0.49
CYP1A2 P05177 1/20 0.43
ALOX5 P09917 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL6431696 1.00 KMT2A (0.50) KMT2AFPR2CYP1A2ALOX5SLC6A2
SCHEMBL9679404 0.89 KMT2A (0.46) KMT2AFPR2CYP1A2ALOX5SLC6A2
SCHEMBL12500531 0.86 LMNA (0.48) KMT2AFPR2MEN1LMNA
SCHEMBL9859821 0.86 LMNA (0.48) KMT2AFPR2MEN1LMNA
SCHEMBL25377657 0.85 KMT2A (0.53) KMT2AFPR2CYP1A2ALDH1A1GAA
SCHEMBL6766 0.85 KMT2A (0.53) KMT2AFPR2CYP1A2ALDH1A1GAA
SCHEMBL9680287 0.84 KMT2A (0.43) KMT2AFPR2CYP1A2ALOX5SLC6A2
SCHEMBL4269790 0.83 POLB (0.51) KMT2AALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL633268 0.83 ESR1 (0.49) CYP1A2SLC6A2SLC6A3ALDH1A1GAA
SCHEMBL19228532 0.82 CYP2C19 (0.53) CYP1A2CYP2C19SMN1; SMN2LMNA

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
EP-0927049-B1 LABELLED ELASTASE INHIBITORS AMERSHAM PLC (GB) 2005-05-11 EP disclosed
US-6375926-B1 HUMAN LEUCOCYTE ELASTASE (HLE) INHIBITOR LABELLED WITH A DETECTABLE MOIETY WHERE THE INHIBITOR IS SYNTHETIC AND THE DETECTABLE MOIETY IS CHOSEN FROM A RADIOACTIVE ISOTOPE, A PARAMAGNETIC ION, A RADIOPAQUE COMPOUND AND AN ULTRASOUND AMERSHAM INTERNATIONAL PLC 2002-04-23 US disclosed
EP-0927049-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL plc (GB) 1999-07-07 EP disclosed
WO-1998010800-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL PLC (GB) 1998-03-19 WO disclosed