SCHEMBL7961985

SCHEMBL7961985

COc1cc(C)c(CC(=O)NC2(C(=O)O)CCC(C(C)C)CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.36
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.32
LPAR1 Q92633 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CTSD P07339 1/20 0.31
PLA2G2A P14555 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7958195 0.91 LMNA (0.33) CXCR5LMNAP2RX7LPAR1HPGD
SCHEMBL8906535 0.89 PYGL (0.34) CXCR5P2RX7
SCHEMBL7950121 0.87 GPR132 (0.39) LPAR1SIGMAR1HPGDCYP3A4FFAR4
SCHEMBL7958357 0.86 L3MBTL1 (0.34) CXCR5LMNAP2RX7LPAR1SIGMAR1
SCHEMBL8796255 0.86 LMNA (0.34) LMNAP2RX7LPAR1SIGMAR1HPGD
SCHEMBL7949839 0.86 MEN1 (0.41) CXCR5LMNAP2RX7SIGMAR1HPGD
SCHEMBL7957992 0.86 LPAR1 (0.37) CXCR5LPAR1L3MBTL1
SCHEMBL7958016 0.85 KMT2A (0.37) LPAR1SIGMAR1HPGDCYP3A4FFAR4
SCHEMBL7958051 0.85 ALDH1A1 (0.39) LPAR1HPGDALDH1A1TSHR
SCHEMBL7964339 0.84 ALDH1A1 (0.35) LMNALPAR1SIGMAR1ALDH1A1

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