SCHEMBL7964477

SCHEMBL7964477

COc1cc(C)c(CC(=O)NC2(C(=O)O)CCC(C)C(C)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CYP3A4 P08684 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TSHR P16473 1/20 0.31
GRIN2B Q13224 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR132 Q9UNW8 1/20 0.30
CXCR5 P32302 1/20 0.30
MAPT P10636 1/20 0.30
EPHX2 P34913 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
SCHEMBL7960343 0.91 HPGD (0.34) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8905958 0.89 LPAR1 (0.35) LPAR1P2RX7EPHX2
SCHEMBL7950121 0.87 GPR132 (0.39) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7961900 0.86 ALDH1A1 (0.45) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7959967 0.86 LPAR1 (0.39) LPAR1HPGDALDH1A1KMT2AGRIN2B
SCHEMBL7964124 0.86 LPAR1 (0.40) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8796388 0.84 HPGD (0.35) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL7958357 0.84 L3MBTL1 (0.34) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7958016 0.83 KMT2A (0.37) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7964339 0.82 ALDH1A1 (0.35) LPAR1ALDH1A1KMT2ASIGMAR1TP53

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