SCHEMBL7964128

SCHEMBL7964128

COc1ccc(C(C)C(=O)NC2(C(=O)O)CCCC(C)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 2/20 0.37
LPAR1 Q92633 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
POLA1 P09884 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7960139 0.92 POLB (0.34) CXCR5POLBALDH1A1HPGDAPOBEC3A
SCHEMBL7950122 0.88 CXCR5 (0.39) CXCR5LPAR1POLBALDH1A1HPGD
SCHEMBL7958053 0.87 CXCR5 (0.41) CXCR5LPAR1ALDH1A1HPGDMEN1
SCHEMBL7964480 0.87 CXCR5 (0.38) CXCR5LPAR1POLBALDH1A1HPGD
SCHEMBL7960124 0.86 CXCR5 (0.41) CXCR5LPAR1MEN1KMT2A
SCHEMBL7960778 0.86 CXCR5 (0.41) CXCR5LPAR1MEN1KMT2A
SCHEMBL7949626 0.86 CXCR5 (0.41) CXCR5LPAR1MEN1KMT2A
SCHEMBL7950103 0.84 GPR88 (0.41) POLBALDH1A1SMYD3SMN1; SMN2MAPT
SCHEMBL7958050 0.84 LPAR1 (0.43) LPAR1ALDH1A1KMT2A
SCHEMBL7961986 0.82 CXCR5 (0.41) CXCR5LPAR1POLA1SMYD3LMNA

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