SCHEMBL7697401

SCHEMBL7697401

CCCCC(=O)NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
PKM P14618 1/20 0.62
NPSR1 Q6W5P4 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
NAAA Q02083 1/20 0.56
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 4/20 0.54
LMNA P02545 1/20 0.54
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 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
SCHEMBL5696563 0.95 POLB (0.61) ALDH1A1PKMNPSR1CES2CES1
SCHEMBL21615871 0.93 NAAA (0.61) ALDH1A1PKMCES2CES1NAAA
SCHEMBL3947433 0.93 NAAA (0.61) ALDH1A1PKMCES2CES1NAAA
SCHEMBL1343140 0.93 NAAA (0.61) ALDH1A1PKMCES2CES1NAAA
SCHEMBL3364793 0.89 ALDH1A1 (0.58) ALDH1A1PKMCES2CES1NAAA
SCHEMBL8154519 0.85 SOAT2 (0.67) NPSR1NAAAPOLBLMNAMEN1
SCHEMBL27989558 0.85 SOAT2 (0.67) NPSR1NAAAPOLBLMNAMEN1
SCHEMBL10591379 0.84 POLB (0.75) ALDH1A1PKMCES2CES1NAAA
SCHEMBL7263142 0.84 HDAC1 (0.52) ALDH1A1GAASMN1; SMN2LMNAMEN1
SCHEMBL28466752 0.83 ALDH1A1 (0.55) ALDH1A1PKMNPSR1CES2CES1

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
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed