SCHEMBL9989137

SCHEMBL9989137

CCc1ccccc1C(=O)Oc1ccccc1COC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
PTGS2 P35354 1/20 0.39
MEN1 O00255 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
SCHEMBL16245159 0.94 LMNA (0.45) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL16672925 0.84 NPC1 (0.50) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL5157613 0.83 TSHR (0.52) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL6883415 0.82 LMNA (0.39) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL28547523 0.81 SLC6A3 (0.57) LMNAHSD17B10SLC6A3ESR1ESR2
SCHEMBL16672527 0.79 MAPT (0.56) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL9989140 0.79 ESR1 (0.49) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL16623989 0.78 PTGS2 (0.50) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL16674880 0.78 HSD17B10 (0.63) LMNAKDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL28860170 0.78 MEN1 (0.57) LMNAKDM4EHSD17B10CYP1A2CYP2C9

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed