SCHEMBL5857342

SCHEMBL5857342

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UGT1A1 P22309 1/20 0.41
SQLE Q14534 1/20 0.40
ALOX5 P09917 1/20 0.39
MAOB P27338 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5857338 1.00 KMT2A (0.44) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL122720 0.99 KMT2A (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL123154 0.99 KMT2A (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL123153 0.99 KMT2A (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL120741 0.99 KMT2A (0.42) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL120742 0.99 KMT2A (0.42) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL121342 0.97 KMT2A (0.41) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL121994 0.97 KMT2A (0.41) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL118427 0.96 KMT2A (0.46) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10706181 0.96 KMT2A (0.46) KMT2AMAPTMEN1CYP3A4ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63215666-A None JP disclosed
US-7137975-B2 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT, INC. (US) 2006-11-21 US disclosed
US-20020161323-A1 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT INC. 2002-10-31 US disclosed
JP-S63215666-A 1-SUBSTITUTED-AZACYCLOHEXAN-2-ONE AND DRUG FOR TRANSCUTANEOUS ADMINISTRATION CONTAINING SAME KURARAY CO LTD 1988-09-08 JP disclosed