SCHEMBL28009409

SCHEMBL28009409

CC(=O)CCC=C(C)C.CC(=O)CCC=C(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ATM Q13315 1/20 0.62
POLB P06746 1/20 0.60
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 1/20 0.46

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
SCHEMBL157735 1.00
Bicarbonate SCHEMBL28331616 0.95 KDM4E (0.64) KDM4EATMPOLBKMT2AALDH1A1
Formaldehyde SCHEMBL4563394 0.95 KDM4E (0.58) KDM4EATMPOLBKMT2AALDH1A1
Hydrazine SCHEMBL17870970 0.95 POLB (0.61) KDM4EATMPOLBKMT2AALDH1A1
Formic Acid SCHEMBL28331617 0.92 KDM4E (0.56) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL7934894 0.90 KMT2A (0.73) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL790270 0.90 KMT2A (0.73) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL14236792 0.90 KMT2A (0.73) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL14236831 0.90 KMT2A (0.73) KDM4EATMPOLBKMT2AALDH1A1
SCHEMBL112856 0.90 KMT2A (0.73) KDM4EATMPOLBKMT2AALDH1A1

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-105794775-B A kind of Platypodidae insect attractant and preparation method and application 中国检验检疫科学研究院 2018-05-08 CN disclosed
CN-104569189-A Method for detecting urine sugar contained in mouse urine using electronic nose UNIV CHINA PHARMA 2015-04-29 CN disclosed