SCHEMBL5838017

SCHEMBL5838017

COc1ccc2[nH]c(C)c(C(=O)NCC3Cc4c(C(=O)OC(C)(C)C)csc4CO3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR4 Q13639 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
AKR1C2 P52895 1/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL5837576 0.87 KDM4E (0.42) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL5838238 0.77 PTPN1 (0.40) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL18919114 0.65 ALDH1A1 (0.65) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL5110673 0.64 ALDH1A1 (0.61) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL17447387 0.63 ALDH1A1 (0.54) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL18889776 0.62 ALDH1A1 (0.56) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL4720481 0.62 GAA (0.71) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL27622272 0.62 ALDH1A1 (0.57) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL8877563 0.62 ALDH1A1 (0.67) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL7344801 0.61 ALDH1A1 (0.67) KDM4ENPC1RAB9AKMT2AALDH1A1

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-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed