SCHEMBL4740751

SCHEMBL4740751

COc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.59
PARP1 P09874 3/20 0.58
DHODH Q02127 2/20 0.53
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP1A2 P05177 1/20 0.50
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
AMY1A P0DUB6 2/20 0.47

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
SCHEMBL16638382 0.87 DHODH (0.70) GUSBPARP1DHODHCYP1A1CYP1B1
SCHEMBL9131496 0.81 RARA (0.55) GUSBPARP1DHODHCYP1A1CYP1B1
SCHEMBL505569 0.81 DHODH (0.55) PARP1DHODHKDM4EALDH1A1HPGD
SCHEMBL30424707 0.80 GUSB (0.57) GUSBPARP1CYP1A1CYP1B1CYP1A2
SCHEMBL696548 0.79 DHODH (0.56) PARP1DHODHCYP1A2KDM4EALDH1A1
SCHEMBL505273 0.78 PARP1 (0.52) PARP1DHODHKDM4EALDH1A1HPGD
SCHEMBL3586495 0.78 ADORA2A (0.56) GUSBPARP1PDE4APDE4BPDE4C
SCHEMBL15958954 0.78 PARP1 (0.62) GUSBPARP1DHODHKDM4EALDH1A1
SCHEMBL6840289 0.77 PIN1 (0.56) PARP1DHODHKDM4EALDH1A1HPGD
SCHEMBL6840189 0.77 PIN1 (0.58) DHODHKDM4EALDH1A1HPGDNPC1

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
WO-2008100376-A2 TRUNCATION VARIANTS OF SIRT1 AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100376-A2 TRUNCATION VARIANTS OF SIRT1 AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed