SCHEMBL7958016

SCHEMBL7958016

CCC1CCC(NC(=O)Cc2c(C)cc(OC)cc2C)(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR4 Q5NUL3 4/20 0.35
HPGD P15428 4/20 0.32
CYP3A4 P08684 2/20 0.32
POLB P06746 1/20 0.32
LPAR1 Q92633 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CACNA1H O95180 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SHMT1 P34896 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
SCHEMBL7961454 0.91 KMT2A (0.35) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL7950121 0.88 GPR132 (0.39) KMT2AMAPTFFAR4HPGDCYP3A4
SCHEMBL8907152 0.88 P2RX7 (0.36) MAPTFFAR4POLBKDM4ESHMT1
SCHEMBL7958357 0.87 L3MBTL1 (0.34) KMT2AMEN1FFAR4HPGDCYP3A4
SCHEMBL7961943 0.86 LPAR1 (0.34) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL7960893 0.86 MEN1 (0.42) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL7958051 0.86 ALDH1A1 (0.39) HPGDLPAR1ALDH1A1TSHRSHMT1
SCHEMBL7961985 0.85 CXCR5 (0.36) FFAR4HPGDCYP3A4LPAR1SIGMAR1
SCHEMBL7964339 0.85 ALDH1A1 (0.35) KMT2AMEN1MAPTLPAR1SIGMAR1
SCHEMBL7949624 0.84 LPAR1 (0.39) HPGDLPAR1ALDH1A1TSHRSHMT1

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