SCHEMBL3988196

SCHEMBL3988196

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)c1nnco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
ATM Q13315 1/20 0.41
TACR1 P25103 1/20 0.41
CA1 P00915 1/20 0.41
PSMB11 A5LHX3 4/20 0.40
PSMA7 O14818 4/20 0.40
PSMB1 P20618 4/20 0.40
PSMA1 P25786 4/20 0.40
PSMA2 P25787 4/20 0.40
PSMA3 P25788 4/20 0.40
PSMA4 P25789 4/20 0.40
PSMB8 P28062 4/20 0.40
PSMB9 P28065 4/20 0.40
PSMA5 P28066 4/20 0.40
PSMB4 P28070 4/20 0.40
PSMB6 P28072 4/20 0.40
PSMB5 P28074 4/20 0.40
PSMB10 P40306 4/20 0.40
PSMB3 P49720 4/20 0.40

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
SCHEMBL3989682 0.92 TACR1 (0.48) ATMTACR1MEN1KMT2A
SCHEMBL3987548 0.85 ERCC1 (0.30)
SCHEMBL3995160 0.79 REN (0.33) ATM
SCHEMBL3989519 0.79 CASP3 (0.38) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL27553310 0.77 TACR1 (0.47) ATMTACR1MEN1KMT2A
SCHEMBL4656413 0.75 SYK (0.51) CA2CA5AATMCA1CTSD
SCHEMBL4657183 0.74 CTSL (0.47) CA2CA5ACA1PSMB11PSMA7
SCHEMBL3989460 0.72 CTSL (0.45) TACR1
SCHEMBL3989464 0.72 CTSL (0.45) TACR1
SCHEMBL17359183 0.72 ATM (0.59) ATMTACR1

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
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed