SCHEMBL7958053

SCHEMBL7958053

COc1ccc(C(C)C(=O)NC2(C(=O)O)CCCC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 2/20 0.41
PYGL P06737 5/20 0.39
CYP2C9 P11712 1/20 0.38
FAAH O00519 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
LPAR1 Q92633 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL7960778 0.99 CXCR5 (0.41) CXCR5PYGLCYP2C9FAAHTRPV1
SCHEMBL7960124 0.99 CXCR5 (0.41) CXCR5PYGLCYP2C9FAAHTRPV1
SCHEMBL7949626 0.99 CXCR5 (0.41) CXCR5PYGLCYP2C9FAAHTRPV1
SCHEMBL7964594 0.91 SMN1; SMN2 (0.36) CXCR5FAAHTRPV1ALDH1A1MEN1
SCHEMBL7949762 0.89 MEN1 (0.38) CXCR5FAAHTRPV1ALDH1A1MEN1
SCHEMBL7950107 0.89 MEN1 (0.38) CXCR5FAAHTRPV1ALDH1A1MEN1
SCHEMBL7958073 0.89 MEN1 (0.38) CXCR5FAAHTRPV1ALDH1A1MEN1
SCHEMBL7950122 0.89 CXCR5 (0.39) CXCR5TSHRALDH1A1HPGDPTGS2
SCHEMBL7961986 0.88 CXCR5 (0.41) CXCR5TSHRPTGS2PTGS1AKR1C3
SCHEMBL7958362 0.88 CXCR5 (0.39) CXCR5TSHRALDH1A1PTGS2PTGS1

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