SCHEMBL28459156

SCHEMBL28459156

Fc1cccc(-c2ccccc2)c1OCCCCC1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
LTB4R Q15722 2/20 0.36
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL28458130 0.81 USP2 (0.52) USP2TP53RAB9AMAPK1KDM4E
SCHEMBL28459155 0.76 HTR7 (0.44) USP2TP53RAB9AMAPK1KDM4E
SCHEMBL29997186 0.75 SCN8A (0.42) TP53RAB9AMAPK1FFAR4KDM4E
SCHEMBL29997699 0.70 ALDH1A1 (0.43) TP53RAB9AMAPK1KDM4EALDH1A1
SCHEMBL28460741 0.69 FFAR4 (0.39) LTB4RTP53RAB9AMAPK1FFAR4
SCHEMBL16982169 0.69 FFAR4 (0.40) FFAR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8077098 0.68 CNR2 (0.40) ALDH1A1KMT2AMEN1HDAC3HDAC1
SCHEMBL28237730 0.68 TP53 (0.53) USP2TP53RAB9AMAPK1KDM4E
SCHEMBL17667232 0.68 TDP1 (0.45) TP53ALDH1A1LMNAKMT2APOLB
SCHEMBL4254195 0.67 ALDH1A1 (0.56) TP53RAB9AMAPK1KDM4EALDH1A1

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
CN-107108541-B Method for producing butyrolactone compound 日产化学工业株式会社 2020-06-19 CN disclosed