SCHEMBL28459155

SCHEMBL28459155

Fc1cccc(-c2ccccc2OCCCCC2OCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
USP2 O75604 1/20 0.40
HTR1A P08908 2/20 0.40
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 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
SCHEMBL28458130 0.85 USP2 (0.52) HTR7USP2KDM4EKMT2AMEN1
SCHEMBL12968482 0.77 CYP1A2 (0.50) HTR7ALOX5APFEN1HTR1AKDM4E
SCHEMBL28459156 0.76 USP2 (0.36) USP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL15473213 0.76 ADRB2 (0.48) HTR7ALOX5APFEN1HTR1AKDM4E
SCHEMBL18071656 0.76 TP53 (0.45) HTR7ALOX5APFEN1HTR1ALMNA
SCHEMBL28237730 0.73 TP53 (0.53) HTR7USP2HTR1AKDM4EKMT2A
SCHEMBL14241396 0.72 ALOX5 (0.41) USP2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL12958354 0.72 IDO1 (0.48) HTR7ALOX5APFEN1HTR1ATP53
SCHEMBL16581474 0.72 TP53 (0.42) HTR7USP2KDM4EKMT2AMEN1
SCHEMBL28460740 0.72 FYN (0.43) HTR7ALOX5APFEN1HTR1AKDM4E

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