SCHEMBL8657351

SCHEMBL8657351

Cc1ccc(CC(=O)NC2(C(=O)O)CCCCC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 3/20 0.45
SHMT2 P34897 3/20 0.45
FABP4 P15090 4/20 0.42
FABP5 Q01469 4/20 0.42
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
THRB P10828 1/20 0.38
LPAR1 Q92633 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL8654878 1.00 SHMT1 (0.45) SHMT1SHMT2FABP4FABP5KMT2A
SCHEMBL8663529 1.00 SHMT1 (0.45) SHMT1SHMT2FABP4FABP5KMT2A
SCHEMBL8650591 0.99 SHMT1 (0.46) SHMT1SHMT2FABP4FABP5KMT2A
SCHEMBL8654386 0.88 ALPL (0.38) KMT2AHSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL8652686 0.88 ALPL (0.38) KMT2AHSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL8651992 0.88 ALPL (0.38) KMT2AHSD11B1CYP2C9CYP3A4CYP2C19
SCHEMBL8657000 0.87 SHMT1 (0.40) SHMT1SHMT2TRPV1THRBLPAR1
SCHEMBL8654660 0.86 P2RX7 (0.38) SHMT1SHMT2KMT2AHSD11B1CYP2C9
SCHEMBL8652082 0.85 SHMT1 (0.38) SHMT1SHMT2FABP4FABP5KMT2A
SCHEMBL8652492 0.85 FFAR4 (0.40) SHMT1SHMT2FABP4FABP5NPC1

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