SCHEMBL4488093

SCHEMBL4488093

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
PLCG1 P19174 1/20 0.37
PAX8 Q06710 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL4504869 0.88 ALDH1A1 (0.42) VDRALDH1A1LMNANPSR1MAPT
SCHEMBL4482567 0.85 PLA2G2A (0.43) ALDH1A1KMT2ATDP2NSD2PLCG1
SCHEMBL4494579 0.85 ALDH1A1 (0.43) VDRALDH1A1LMNANPSR1MAPT
SCHEMBL4493743 0.84 GRIA2 (0.39) VDRALDH1A1LMNANPSR1MAPT
SCHEMBL4490747 0.81 PGR (0.43) VDRALDH1A1LMNAMAPTKMT2A
SCHEMBL4492331 0.80 LMNA (0.42) VDRALDH1A1LMNANPSR1MAPT
SCHEMBL4485664 0.80 KDM4E (0.40) VDRALDH1A1LMNANPSR1MAPT
SCHEMBL4490040 0.78 GFER (0.47) ALDH1A1NPSR1MAPTSMN1; SMN2HTT
SCHEMBL4559832 0.78 TP53 (0.46) VDRALDH1A1LMNANPSR1MAPT
SCHEMBL4485204 0.78 ALDH1A1 (0.42) VDRALDH1A1LMNANPSR1MAPT

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed