SCHEMBL11424176

SCHEMBL11424176

CC(C)=CCC=C(C)CCCC(C)=CCO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
UGT1A1 P22309 1/20 0.56
PTPN1 P18031 1/20 0.46
SQLE Q14534 6/20 0.45
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
ICMT O60725 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11424170 1.00 KMT2A (0.58) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL10823249 0.80 FNTA (0.42) KMT2AALOX15ALDH1A1SQLEFNTA
SCHEMBL10823248 0.80 FNTA (0.42) KMT2AALOX15ALDH1A1SQLEFNTA
Nerol SCHEMBL28954996 0.79 KMT2A (0.73) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL8998627 0.79 KMT2A (0.74) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6095021 0.79 SQLE (0.42) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6095018 0.79 SQLE (0.42) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL8998621 0.79 KMT2A (0.74) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL1829279 0.78 SQLE (0.60) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL1300875 0.78 SQLE (0.60) KMT2AMEN1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4214909-A SESQUITERPENE ALCOHOLS AND CARBOXYLIC ACID ESTERS THEREOF KURARAY CO., LTD. (JP) 1980-07-29 US disclosed