SCHEMBL8558470

SCHEMBL8558470

CC[C@H](C)[C@H](NC(=O)Cc1ccc(Cl)cc1C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.44
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PYGL P06737 2/20 0.42
TSHR P16473 1/20 0.42
CCR1 P32246 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
P2RX7 Q99572 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 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
SCHEMBL8558467 1.00 FPR2 (0.44) FPR2KMT2AGFERCA1CA2
SCHEMBL8558522 0.88 SDCBP (0.53) TSHRCCR1ATMSDCBPSDC2
SCHEMBL8558519 0.88 SDCBP (0.53) TSHRCCR1ATMSDCBPSDC2
SCHEMBL8652110 0.88 NOS3 (0.52) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL8558206 0.88 NOS3 (0.52) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4435143 0.84 ALDH1A1 (0.46) KMT2ACA1CA2CCR1KDM4E
SCHEMBL4435148 0.84 ALDH1A1 (0.46) KMT2ACA1CA2CCR1KDM4E
SCHEMBL6996018 0.84 KMT2A (0.47) FPR2KMT2AGFERPYGLMEN1
SCHEMBL6996015 0.84 KMT2A (0.47) FPR2KMT2AGFERPYGLMEN1
SCHEMBL8556273 0.84 CA2 (0.46) FPR2KMT2AGFERCA1CA2

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