SCHEMBL8623726

SCHEMBL8623726

C[C@@H](CC(=O)O)CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 9/20 1.00
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
APP P05067 1/20 0.47
PTGS1 P23219 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTGS2 P35354 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
FABP2 P12104 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C4 P17516 1/20 0.45
ADRA2B P18089 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2C P28335 1/20 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
SCHEMBL8625283 0.91 FDFT1 (1.00) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8625596 0.88 FDFT1 (0.82) FDFT1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8620980 0.88 FDFT1 (0.82) FDFT1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8619497 0.88 FDFT1 (0.78) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8619622 0.85 FDFT1 (0.74) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8622927 0.83 FDFT1 (0.71) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8620725 0.82 FDFT1 (0.84) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8619482 0.82 FDFT1 (0.68) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8619479 0.82 FDFT1 (0.68) FDFT1PSEN1PSEN2APH1BNCSTN
SCHEMBL8623886 0.80 FDFT1 (0.65) FDFT1PSEN1PSEN2APH1BNCSTN

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-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed