SCHEMBL1064176

SCHEMBL1064176

Cc1cccc(NC(=O)O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 4/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LIPG Q9Y5X9 2/20 0.36
LPL P06858 1/20 0.36
DDX3X O00571 1/20 0.36
ATM Q13315 1/20 0.35
P4HB P07237 1/20 0.35
MEN1 O00255 1/20 0.35
AKR1B10 O60218 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1675741 0.83 AAK1 (0.42) POLBATMLMNAHSD17B10
SCHEMBL20293692 0.79 LIPE (0.39) RAB9ANPC1LIPGLPLATM
SCHEMBL1058987 0.78 LIPE (0.48) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL3859397 0.78 ALDH1A1 (0.47) HPGDPOLBALDH1A1HIF1AKDM4E
SCHEMBL4674071 0.78 LPL (0.44) LIPGLPLATMTRPA1CYP1A2
SCHEMBL2635452 0.76 HIF1A (0.46) HIF1ALIPGLPLP4HBMEN1
SCHEMBL1811614 0.75 NR4A2 (0.41) POLBALDH1A1KDM4EATMMEN1
SCHEMBL26119279 0.74 LIPE (0.39) HIF1AKDM4ELIPGLPLP4HB
SCHEMBL14053701 0.74 HIF1A (0.50) HIF1ALIPGLPLP4HB
SCHEMBL22777316 0.74 HIF1A (0.35) HIF1ALIPGLPL

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
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed