SCHEMBL7186252

SCHEMBL7186252

CCCCCOCCC1(C2CCCC2)CC(O)=C(Sc2nc3nc(C)cc(C)n3n2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
ATM Q13315 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.34

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
SCHEMBL28012580 0.48 MEN1 (0.42) KMT2AALDH1A1HTTCYP1A2MAPT
SCHEMBL27959585 0.48 MEN1 (0.42) KMT2AALDH1A1HTTCYP1A2MAPT
SCHEMBL27968784 0.48 MEN1 (0.42) KMT2AALDH1A1HTTCYP1A2MAPT
Resorcinol SCHEMBL11663052 0.47 NR5A1 (0.48) KMT2AALDH1A1HTTCYP3A4MAPT
Catechol SCHEMBL16634432 0.47 TSHR (0.48) KMT2AALOX15ALDH1A1HPGDATM
Benzene SCHEMBL27778100 0.47 HTT (0.56) KMT2AALDH1A1HTTCYP3A4MAPT
Strontium SCHEMBL10628026 0.46 THRB (0.62) KMT2AALDH1A1HTTCYP3A4MAPT
Resorcinol SCHEMBL3905857 0.46 NR5A1 (0.52) KMT2AALDH1A1HTTCYP3A4MAPT
Hydroquinone SCHEMBL2945920 0.46 NR5A1 (0.67) KMT2AALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29112012 0.46 LTA4H (0.48) KMT2AALDH1A1HPGDHTTCYP3A4

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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed