SCHEMBL28065146

SCHEMBL28065146

C=CCOc1c(OC)cccc1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 5/20 0.49
LIG1 P18858 1/20 0.48
CYP3A4 P08684 1/20 0.45
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.42
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL3944765 0.91 LIG1 (0.54) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL669085 0.89 CYP3A4 (0.58) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL668774 0.88 SMN1; SMN2 (0.58) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL28299986 0.87 KDM4E (0.56) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL17832018 0.82 SMN1; SMN2 (0.59) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL4343007 0.82 CYP3A4 (0.47) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL8689359 0.82 SMN1; SMN2 (0.46) KDM4EPOLBSMN1; SMN2HTTALDH1A1
SCHEMBL5696504 0.81 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2HTTALDH1A1NPC1
SCHEMBL1319409 0.80 LIG1 (0.67) KDM4ESMN1; SMN2HTTALDH1A1HPGD
SCHEMBL3937140 0.79 LIG1 (0.55) KDM4EPOLBSMN1; SMN2HTTALDH1A1

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
CN-105661457-A Seasoning preservative for meat products and preparation method of seasoning preservative 蒋丽红 2016-06-15 CN disclosed
CN-105647685-A Bacteriostatic laundry detergent containing natural traditional Chinese medicine ingredients and preparation method of detergent 湖北灵参中药科技有限公司 2016-06-08 CN disclosed