SCHEMBL3397826

SCHEMBL3397826

Cc1cc(OCC(=O)C[C@@H](O)CCN)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.57
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.54
PKM P14618 1/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.46
SENP2 Q9HC62 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
THRB P10828 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL3402310 0.90 KMT2A (0.67) MCL1KMT2ASMN1; SMN2MEN1PKM
Hydrochloric Acid SCHEMBL3400327 0.78 KMT2A (0.60) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL3396600 0.78 MCL1 (0.57) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL27819496 0.78 MCL1 (0.57) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL3397335 0.78 CYP1A2 (0.53) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL1810263 0.75 MCL1 (0.73) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL11180561 0.75 KMT2A (0.52) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL11430655 0.73 MCL1 (0.76) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL7493102 0.73 MCL1 (1.00) MCL1KMT2ASMN1; SMN2MEN1PKM
SCHEMBL772522 0.73 KMT2A (1.00) MCL1KMT2ASMN1; SMN2MEN1PKM

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-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed