SCHEMBL7961964

SCHEMBL7961964

CCCC(C)(NC(=O)C(C)c1ccc(OC)cc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 5/20 0.46
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL7960761 0.90 GPR88 (0.49) GPR88GAANPSR1KMT2AOPRM1
SCHEMBL6474748 0.86 NPSR1 (0.41) NPSR1KMT2ALMNAMMP9MMP13
SCHEMBL7961961 0.82 MTNR1A (0.35) GPR88MTNR1AMTNR1B
SCHEMBL7964623 0.81 GPR88 (0.50) GPR88GAANPSR1KMT2AOPRM1
SCHEMBL7960898 0.81 GPR88 (0.49) GPR88GAANPSR1KMT2AOPRM1
SCHEMBL7960750 0.80 GPR88 (0.46) GPR88GAANPSR1KMT2AOPRM1
SCHEMBL7640906 0.79 GPR88 (0.47) GPR88GAANPSR1KMT2AOPRM1
SCHEMBL6483622 0.76 NPSR1 (0.41) GPR88NPSR1KMT2ALMNAMMP9
SCHEMBL7960771 0.76 GPR88 (0.53) GPR88GAANPSR1KMT2AOPRM1
SCHEMBL27403682 0.75 KMT2A (0.45) GAANPSR1KMT2ALMNAMEN1

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