SCHEMBL5318993

SCHEMBL5318993

COc1cc(C)ccc1Oc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
MAPT P10636 7/20 0.48
L3MBTL1 Q9Y468 6/20 0.48
HPGD P15428 4/20 0.48
POLB P06746 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AR P10275 3/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5316194 0.86 SLC6A2 (0.47) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL5317845 0.82 AR (0.44) ALDH1A1ARSLC6A4SMN1; SMN2MPO
SCHEMBL11544969 0.81 L3MBTL1 (0.60) L3MBTL1POLBMEN1ALDH1A1KMT2A
SCHEMBL17258622 0.78 ACHE (0.68) ACHEMAPTL3MBTL1HPGDPOLB
SCHEMBL17930598 0.77 NPSR1 (0.49) MAPTHPGDPOLBMEN1ALDH1A1
SCHEMBL15452397 0.77 NPC1 (0.73) ACHEMAPTL3MBTL1HPGDPOLB
SCHEMBL15832088 0.76 KCNQ3 (0.45) MAPTL3MBTL1POLBSLC6A4RAB9A
SCHEMBL20172428 0.75 MPO (0.46) MAPTL3MBTL1HPGDPOLBCYP2C9
SCHEMBL3893882 0.74 PDGFRA (0.68)
SCHEMBL31553439 0.74 PDGFRA (0.68)

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-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed