SCHEMBL8990000

SCHEMBL8990000

CC(N)C(=O)N(C(=O)CN)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
FOLH1 Q04609 1/20 0.39
ACE P12821 3/20 0.38
MME P08473 2/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
ESR1 P03372 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALB P02768 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL16275179 0.90 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2FOLH1ACE
SCHEMBL16275180 0.90 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2FOLH1ACE
SCHEMBL28794174 0.88 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2PTGS1PTGS2
SCHEMBL28794185 0.88 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2PTGS1PTGS2
SCHEMBL3354528 0.88 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2FOLH1PTGS1
SCHEMBL9332753 0.87 SLC7A5 (0.53) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL31530461 0.81 SLC7A5 (0.53) SLC7A5TAAR1SLC6A2FOLH1ACE
SCHEMBL7678271 0.79 SLC7A5 (0.48) SLC7A5TAAR1SLC6A2FOLH1ACE
SCHEMBL7678296 0.79 SLC7A5 (0.48) SLC7A5TAAR1SLC6A2FOLH1ACE
SCHEMBL10646229 0.79 SLC1A3 (0.51) SLC7A5TAAR1SLC6A2CPA1PTGS1

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-5556768-A STEPWISE EXTENSION, COMPLEXING WITH RIBOSOME AND MRNA OSAKA GAS COMPANY LIMITED (JP) 1996-09-17 US disclosed