SCHEMBL8058352

SCHEMBL8058352

Nc1ccc(C(=O)NCCCO)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
CDK1 P06493 1/20 0.48
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
THRB P10828 2/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
TNF P01375 1/20 0.45
HSPD1 P10809 1/20 0.45

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
SCHEMBL8054403 0.91 MAPT (0.47) HTTALDH1A1KDM4EMAPTTDP1
SCHEMBL17190060 0.87 CA1 (0.47) HTTALDH1A1KDM4EMAPTTDP1
SCHEMBL11544355 0.82 ALDH1A1 (0.49) HTTCDK1ALDH1A1KDM4EMAPT
SCHEMBL19788663 0.79 CDK1 (0.46) HTTCDK1ALDH1A1KDM4EALOX15
SCHEMBL21408389 0.79 MAPT (0.55) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL17774795 0.78 CDK1 (0.45) HTTCDK1ALDH1A1KDM4EPOLB
SCHEMBL29364937 0.74 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL231377 0.74 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL3000922 0.74 POLB (0.58) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL23720570 0.73 KDM4E (0.57) ALDH1A1KDM4EMAPTTDP1MEN1

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-6130320-A DYEING NATURAL AND SYNTHETIC FIBERS BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed