SCHEMBL15214042

SCHEMBL15214042

COc1ccc(C(=O)c2ccccc2C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
BCL2 P10415 1/20 0.52
MCL1 Q07820 1/20 0.52
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL22002815 0.86 KMT2A (0.59) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL28809795 0.84 MAPT (0.56) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL1122739 0.82 BCL2 (0.64) KMT2AALDH1A1BCL2MCL1MAPT
SCHEMBL11576250 0.81 NPC1 (0.51) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL8338080 0.81 HTT (0.56) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL11576784 0.81 NPC1 (0.55) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL9851196 0.81 KMT2A (0.70) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL28518456 0.81 LIG1 (0.61) KMT2AALDH1A1BCL2MCL1CES2
SCHEMBL28926999 0.80 CA1 (0.57) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL28926996 0.80 CA1 (0.57) KMT2ANPC1NPSR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed