SCHEMBL11561024

SCHEMBL11561024

COc1ccc(-c2nc(C(C)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 3/20 0.52
LMNA P02545 2/20 0.52
PTGS2 P35354 5/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL12177033 0.94 ALOX5 (0.53) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11562896 0.87 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL12284426 0.80 ALOX5 (0.48) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL10801295 0.80 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL13352180 0.79 ALOX5 (0.47) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11288829 0.79 MAPT (0.52) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11292797 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11563601 0.75 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11455410 0.75 PTGS2 (0.66) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL9451885 0.75 MAPT (0.49) ALDH1A1MAPTKDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 US claimed
US-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 US disclosed