SCHEMBL7950122

SCHEMBL7950122

COc1ccc(C(C)C(=O)NC2(C(=O)O)CCC(C)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GPR132 Q9UNW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SMYD3 Q9H7B4 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34

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
SCHEMBL7960643 0.91 POLB (0.39) CXCR5POLBMAPTTSHRKMT2A
SCHEMBL7961986 0.90 CXCR5 (0.41) CXCR5TSHRSMYD3LMNALPAR1
SCHEMBL7958362 0.90 CXCR5 (0.39) CXCR5TSHRSMYD3ALDH1A1PTGS1
SCHEMBL7958053 0.89 CXCR5 (0.41) CXCR5TSHRKMT2AMEN1HPGD
SCHEMBL7964480 0.89 CXCR5 (0.38) CXCR5POLBTSHRKMT2AMEN1
SCHEMBL7964342 0.89 CXCR5 (0.38) CXCR5MAPTTSHRKMT2AMEN1
SCHEMBL7958019 0.89 MEN1 (0.39) CXCR5MAPTKMT2AMEN1SMYD3
SCHEMBL7960124 0.88 CXCR5 (0.41) CXCR5KMT2AMEN1LPAR1
SCHEMBL7949626 0.88 CXCR5 (0.41) CXCR5KMT2AMEN1LPAR1
SCHEMBL7960778 0.88 CXCR5 (0.41) CXCR5KMT2AMEN1LPAR1

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-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed