SCHEMBL7964124

SCHEMBL7964124

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.40
HPGD P15428 4/20 0.34
ALDH1A1 P00352 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
CXCR5 P32302 1/20 0.31
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7960135 0.91 HPGD (0.34) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL8907769 0.89 LPAR1 (0.38) LPAR1CYP1A2P2RX7EPHX2GAA
SCHEMBL7950121 0.86 GPR132 (0.39) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7958045 0.86 LPAR1 (0.42) LPAR1HPGDKMT2AGAAMAPT
SCHEMBL7950101 0.86 ALDH1A1 (0.45) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7958051 0.86 ALDH1A1 (0.39) LPAR1HPGDALDH1A1TSHRSHMT1
SCHEMBL7964477 0.86 LPAR1 (0.37) LPAR1HPGDALDH1A1APOBEC3AAPOBEC3G
SCHEMBL7949624 0.85 LPAR1 (0.39) LPAR1HPGDALDH1A1TSHRSHMT1
SCHEMBL7960122 0.85 LPAR1 (0.39) LPAR1HPGDALDH1A1TSHRSHMT1
SCHEMBL7960775 0.85 LPAR1 (0.39) LPAR1HPGDALDH1A1TSHRSHMT1

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