SCHEMBL7699017

SCHEMBL7699017

Nc1ccc(OCCC(=Cc2ccccc2)C(=O)O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX5 P09917 4/20 0.40
PTGES O14684 3/20 0.40
PPARG P37231 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
RECQL P46063 1/20 0.35

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
SCHEMBL10791590 0.77 USP2 (0.57) USP2GAAMAPTKDM4EMEN1
SCHEMBL1145282 0.76 CYP3A4 (0.53) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL10788826 0.73 MEN1 (0.56) USP2GAAMAPTKDM4EMEN1
SCHEMBL2994100 0.72 AKR1C3 (0.39) USP2GAAMAPTKDM4EMEN1
SCHEMBL1469995 0.71 KDM4E (0.53) USP2GAAMAPTKDM4EMEN1
SCHEMBL1470608 0.71 KDM4E (0.53) USP2GAAMAPTKDM4EMEN1
SCHEMBL6915210 0.70 CYP3A4 (0.47) MAPTMEN1TP53KMT2ACYP3A4
SCHEMBL8421296 0.70 CHRNA7 (0.49) USP2GAAMAPTKDM4EMEN1
SCHEMBL8421295 0.70 CHRNA7 (0.49) USP2GAAMAPTKDM4EMEN1
SCHEMBL8099817 0.70 GAA (0.74) USP2GAAMAPTKDM4EMEN1

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-6350845-B1 POLYAMIDEIMIDE COPOLYMERS FOR NONABSORBENT HEAT RESISTANT COMPOSITIONS KANEKA CORPORATION (JP) 2002-02-26 US disclosed