SCHEMBL7958019

SCHEMBL7958019

CCC1CCC(NC(=O)C(C)c2ccc(OC)cc2C)(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR5 P32302 2/20 0.38
FFAR4 Q5NUL3 2/20 0.36
GPR88 Q9GZN0 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTT P42858 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL7961455 0.92 MEN1 (0.36) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL7950122 0.89 CXCR5 (0.39) MEN1KMT2AMAPTCXCR5SMYD3
SCHEMBL7958362 0.88 CXCR5 (0.39) CXCR5GPR88SMYD3
SCHEMBL7961986 0.88 CXCR5 (0.41) NPC1RAB9ACXCR5SMYD3NQO2
SCHEMBL7958053 0.86 CXCR5 (0.41) MEN1KMT2ACXCR5
SCHEMBL7964342 0.86 CXCR5 (0.38) MEN1KMT2AMAPTCXCR5SMYD3
SCHEMBL7960124 0.85 CXCR5 (0.41) MEN1KMT2ACXCR5
SCHEMBL7949626 0.85 CXCR5 (0.41) MEN1KMT2ACXCR5
SCHEMBL7960778 0.85 CXCR5 (0.41) MEN1KMT2ACXCR5
SCHEMBL7961944 0.84 LPAR1 (0.43) NPC1RAB9A

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