SCHEMBL6923484

SCHEMBL6923484

Cc1nc2c(C)cc(OCCCC(=O)O)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
PDE3B Q13370 7/20 0.44
PDE3A Q14432 7/20 0.44
PDE2A O00408 5/20 0.44
P2RY12 Q9H244 4/20 0.44
TSHR P16473 1/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
DHODH Q02127 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6502479 0.86 PDE3B (0.50) MCL1PDE3BPDE3AP2RY12TSHR
SCHEMBL6927743 0.81 PPARA (0.39) MCL1TSHRPPARGPPARADHODH
SCHEMBL6499830 0.78 PDE3B (0.49) MCL1PDE3BPDE3AP2RY12TSHR
SCHEMBL30939004 0.78 MCL1 (0.43) MCL1PDE3BPDE3APDE2AP2RY12
SCHEMBL3962137 0.77 DHODH (0.43) DHODH
SCHEMBL6491891 0.74 PDE3B (0.48) MCL1PDE3BPDE3AP2RY12TSHR
SCHEMBL6924904 0.73 DHODH (0.39) PPARGPPARADHODHCYP1A2CYP2D6
SCHEMBL6926116 0.73 SMN1; SMN2 (0.55) PPARGPPARADHODH
SCHEMBL3963475 0.72 ALDH1A1 (0.40) DHODH
SCHEMBL11504186 0.72 MCL1 (0.58) MCL1TSHRFFAR4

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-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed