SCHEMBL8059377

SCHEMBL8059377

CC[C@H](C)[C@H](Nc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 2/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
FPR2 P25090 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 3/20 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
SCHEMBL8059374 1.00 CYP2C9 (0.51) CYP2C9CYP2C19RAB9ASMN1; SMN2GAA
SCHEMBL30437445 0.86 ELANE (0.50) CYP2C9CYP2C19RAB9ASMN1; SMN2GAA
SCHEMBL3513496 0.84 RAB9A (0.50) CYP2C19RAB9ASMN1; SMN2GAAMEN1
SCHEMBL3510637 0.84 RAB9A (0.50) CYP2C19RAB9ASMN1; SMN2GAAMEN1
SCHEMBL5274809 0.83 CYP2C9 (0.52) CYP2C9CYP2C19SMN1; SMN2GAAMEN1
SCHEMBL5274814 0.83 CYP2C9 (0.52) CYP2C9CYP2C19SMN1; SMN2GAAMEN1
SCHEMBL5342235 0.81 RAB9A (0.50) CYP2C9CYP2C19RAB9ASMN1; SMN2GAA
SCHEMBL5377321 0.81 RAB9A (0.50) CYP2C9CYP2C19RAB9ASMN1; SMN2GAA
SCHEMBL5342232 0.81 RAB9A (0.50) CYP2C9CYP2C19RAB9ASMN1; SMN2GAA
SCHEMBL27796172 0.80 RAB9A (0.52) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1

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-6080588-A ADMINISTERING DERIVATIVE TO SUBJECT TO INHIBIT OR PREVENT DISEASE ASSOCIATED WITH BINDING OF ANTIBODIES TO DNA; TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS AND INFLAMMATORY GLOMERULONEPHRITIS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-06-27 US disclosed
WO-1996036361-A1 DNA BINDING ANTIBODIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-11-21 WO disclosed