SCHEMBL9813628

SCHEMBL9813628

CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CC1CC(C)(C)N(CCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 5/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
ACHE P22303 1/20 0.36
ALOX5 P09917 1/20 0.35
VCAM1 P19320 4/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10950853 0.90 KMT2A (0.41) KMT2AMEN1GAAMAOBMAOA
SCHEMBL206978 0.87 KMT2A (0.43) KMT2AMEN1GAAMAOBMAOA
SCHEMBL9180631 0.86 KMT2A (0.42) KMT2AMEN1GAAMAOBMAOA
SCHEMBL4183573 0.86 KMT2A (0.42) KMT2AMEN1GAAMAOBMAOA
SCHEMBL9813695 0.84 KMT2A (0.50) KMT2AMEN1GAAMAOBMAOA
SCHEMBL11167688 0.84 KMT2A (0.41) KMT2AMEN1GAAMAOBMAOA
SCHEMBL2958675 0.84 ALOX5 (0.44) KMT2AMEN1GAAMAOBMAOA
SCHEMBL679221 0.84 KMT2A (0.39) KMT2AMEN1GAAMAOBMAOA
SCHEMBL22150256 0.83 GAA (0.43) KMT2AMEN1GAAMAOBMAOA
SCHEMBL4469766 0.83 GAA (0.43) KMT2AMEN1GAAMAOBMAOA

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
EP-0163245-B1 DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS AUSIMONT S.r.l. (IT) 1991-07-31 EP disclosed
US-4772708-A STABILIZERS FOR POLYMERS AUSIMONT S.P.A. (IT) 1988-09-20 US disclosed