SCHEMBL4744523

SCHEMBL4744523

COc1ccc(NC(c2ccc(OC)cc2)C(O)C(=O)CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 4/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
TSHR P16473 1/20 0.47
CNR2 P34972 1/20 0.47
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
F2RL1 P55085 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 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
SCHEMBL14068528 1.00 RAB9A (0.51) RAB9ANPC1ALDH1A1PLAAT3PLAAT5
SCHEMBL14068463 0.94 FFAR1 (0.52) RAB9ANPC1ALDH1A1FFAR1SMN1; SMN2
SCHEMBL4745114 0.94 FFAR1 (0.52) RAB9ANPC1ALDH1A1FFAR1SMN1; SMN2
SCHEMBL4742525 0.82 MEN1 (0.49) RAB9ANPC1ALDH1A1FFAR1SMN1; SMN2
SCHEMBL14068292 0.82 CXCL12 (0.47) RAB9ANPC1FFAR1KMT2AMEN1
SCHEMBL3676320 0.72 RAB9A (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29237310 0.72 FPR2 (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2491083 0.70 CNR2 (0.51) RAB9ANPC1ALDH1A1TSHRCNR2
SCHEMBL24800806 0.70 F2RL1 (0.74) RAB9ANPC1ALDH1A1PLAAT3PLAAT5
SCHEMBL29237378 0.69 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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-2008104875-A1 OXAZOLIDINONES AS CHOLESTEROL ABSORPTION INHIBITORS PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed