SCHEMBL8657309

SCHEMBL8657309

CCC(C)C(NC(=O)C(Cl)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
FPR2 P25090 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL8651874 0.87 MME (0.46) ALDH1A1FPR2MEN1KMT2ASMN1; SMN2
SCHEMBL6474415 0.87 CYP2C9 (0.47) ALDH1A1FPR2MEN1KMT2AATM
SCHEMBL8656296 0.80 KEAP1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8653691 0.77 MAPK1 (0.53) ALDH1A1FPR2MEN1KMT2ALMNA
SCHEMBL4678843 0.76 CA2 (0.70) ALDH1A1FPR2MEN1KMT2AATM
SCHEMBL6474692 0.76 CYP2C9 (0.47) ALDH1A1FPR2MEN1KMT2AATM
SCHEMBL17323640 0.72 ALDH1A1 (0.63) ALDH1A1FPR2MEN1KMT2AATM
SCHEMBL20697894 0.72 ALDH1A1 (0.63) ALDH1A1FPR2MEN1KMT2AATM
SCHEMBL20697893 0.72 ALDH1A1 (0.63) ALDH1A1FPR2MEN1KMT2AATM
SCHEMBL24045922 0.72 CXCR1 (0.59) MEN1KMT2AATMSMN1; SMN2LMNA

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