SCHEMBL16112031

SCHEMBL16112031

O=C(NO)C1CCC(Oc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.51
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
HRH1 P35367 1/20 0.47
HDAC4 P56524 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
SCD5 Q86SK9 1/20 0.44
EPHX2 P34913 3/20 0.44
FAAH O00519 1/20 0.44
ACACB O00763 2/20 0.43
MEN1 O00255 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
SCHEMBL16112493 0.90 KDM1A (0.49) KDM1AGAAPKMHRH1HDAC4
SCHEMBL2475966 0.85 GAA (0.47) GAAPKMHRH1EPHX2FAAH
SCHEMBL2476884 0.85 GAA (0.47) GAAPKMHRH1EPHX2FAAH
SCHEMBL2475964 0.85 GAA (0.47) GAAPKMHRH1EPHX2FAAH
SCHEMBL1749499 0.82 ACSL1 (0.56) HRH1EPHX2FAAHNPC1RAB9A
SCHEMBL2473042 0.80 ALDH1A1 (0.49) GAAHRH1EPHX2FAAHMAPT
SCHEMBL2469594 0.80 ALDH1A1 (0.49) GAAHRH1EPHX2FAAHMAPT
SCHEMBL2469592 0.80 ALDH1A1 (0.49) GAAHRH1EPHX2FAAHMAPT
SCHEMBL17730022 0.78 KMT2A (0.56) GAAEPHX2FAAHMEN1MAPT
SCHEMBL29856 0.78 HRH1 (0.71) HRH1EPHX2FAAHSMN1; SMN2

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-2968233-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2016-01-20 EP claimed
WO-2014159224-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed