SCHEMBL11267758

SCHEMBL11267758

CC(C)=CCCC(O)CBr

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.33
CYP3A4 P08684 2/20 0.33
SRC P12931 1/20 0.33
MAPT P10636 2/20 0.32
UGT1A1 P22309 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
SCHEMBL10518616 0.76 ALOX15 (0.45) ALOX15ALDH1A1TSHRKDM4EKMT2A
SCHEMBL6480323 0.76 ALOX15 (0.61) ALOX15ALDH1A1TSHRKMT2AMEN1
SCHEMBL11265111 0.76 ALOX15 (0.45) ALOX15ALDH1A1TSHRKDM4EKMT2A
SCHEMBL11691264 0.76 ALOX15 (0.61) ALOX15ALDH1A1TSHRKDM4E
SCHEMBL6480330 0.76 ALOX15 (0.61) ALOX15ALDH1A1TSHRKMT2AMEN1
SCHEMBL10518605 0.76 ALOX15 (0.45) ALOX15ALDH1A1TSHRKDM4EKMT2A
SCHEMBL11279676 0.73 FNTA (0.39) KMT2AMEN1MAPT
SCHEMBL11279674 0.73 FNTA (0.39) KMT2AMEN1MAPT
SCHEMBL929378 0.73 KMT2A (0.67) ALOX15ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11692818 0.73 ALOX15 (0.42) ALOX15ALDH1A1TSHRKDM4EKMT2A

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
EP-0054909-A2 9-Halo-8-hydroxy-4-methyl-4-nonenoic acids, derivatives thereof and a process for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-30 EP disclosed