SCHEMBL8653113

SCHEMBL8653113

Cc1ccc(C(Cl)C(=O)NC2(C(=O)O)CCC(C(C)(C)C)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.33
AQP3 Q92482 1/20 0.32
ALPL P05186 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GCGR P47871 4/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLP1R P43220 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL8886708 0.88 ADRA1D (0.34) HTR1ES1PR3ATMAQP3ALPL
SCHEMBL6474821 0.87 NPSR1 (0.40) ALDH1A1NPSR1
SCHEMBL8657002 0.86 HTR1E (0.36) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8654470 0.84 HTR1E (0.38) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8650594 0.83 ALDH1A1 (0.39) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8654101 0.83 HTR1E (0.34) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8652494 0.83 KEAP1 (0.35) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8654879 0.82 PYGL (0.39) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8657354 0.82 PYGL (0.39) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2
SCHEMBL8663533 0.82 PYGL (0.39) HTR1ES1PR3ALDH1A1LMNASMN1; SMN2

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-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed