SCHEMBL11155145

SCHEMBL11155145

CC(=O)OCCC(C)n1c(C)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11157008 0.86 MEN1 (0.43) MEN1KMT2AHTTKDM4ETP53
SCHEMBL11154083 0.79 MEN1 (0.42) MEN1KMT2AHTTKDM4ETP53
SCHEMBL11497264 0.76 KDM4E (0.41) MEN1KMT2AHTTKDM4ETP53
SCHEMBL27853671 0.76 MEN1 (0.43) MEN1KMT2AHTTKDM4ETP53
SCHEMBL11155515 0.76 MEN1 (0.39) MEN1KMT2AHTTKDM4ETP53
SCHEMBL11156731 0.76 BRD4 (0.45) MEN1KMT2AHTTKDM4EMAPT
SCHEMBL11518437 0.75 MEN1 (0.43) MEN1KMT2AHTTKDM4ETP53
SCHEMBL20037197 0.75 MEN1 (0.45) MEN1KMT2AHTTKDM4ETP53
SCHEMBL27853667 0.75 TP53 (0.62) MEN1KMT2AHTTKDM4ETP53
SCHEMBL11159261 0.75 TP53 (0.38) MEN1KMT2AHTTKDM4ETP53

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-0022634-B1 ACYLATED INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AND DRUGS COMPRISING THEM TEIJIN LIMITED (JP) 1983-04-06 EP disclosed
EP-0022634-A1 Acylated indole derivatives, processes for their preparation and pharmaceutical compositions and drugs comprising them TEIJIN LIMITED (JP) 1981-01-21 EP disclosed