SCHEMBL8557039

SCHEMBL8557039

Cc1cc(Cl)ccc1CC(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
GRN P28799 4/20 0.52
SORT1 Q99523 4/20 0.52
FPR2 P25090 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PYGL P06737 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL8557036 1.00 MAPK1 (0.55) MAPK1ALDH1A1LMNAGRNSORT1
SCHEMBL8654231 0.87 NOS3 (0.52) LMNAKMT2ACA1CA2
SCHEMBL8555850 0.87 NOS3 (0.52) LMNAKMT2ACA1CA2
SCHEMBL8554539 0.85 SHMT1 (0.50) ALDH1A1KDM4EP2RX7
SCHEMBL8554540 0.85 SHMT1 (0.50) ALDH1A1KDM4EP2RX7
SCHEMBL4422723 0.84 ATM (0.52) MAPK1ALDH1A1LMNAGRNSORT1
SCHEMBL4422726 0.84 ATM (0.52) MAPK1ALDH1A1LMNAGRNSORT1
SCHEMBL7000904 0.83 ALDH1A1 (0.53) MAPK1ALDH1A1KMT2A
SCHEMBL7000909 0.83 ALDH1A1 (0.53) MAPK1ALDH1A1KMT2A
SCHEMBL8558519 0.83 SDCBP (0.53) ALDH1A1P2RX7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080719-C Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative BAYER GMBH (DE) 2002-03-13 CN disclosed
US-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0668267-B1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1998-04-08 EP disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
CN-1110680-A Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative BYLL GMBH (DE) 1995-10-25 CN disclosed
EP-0668267-A1 Substituted 1H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AG (DE) 1995-08-23 EP disclosed