SCHEMBL5317240

SCHEMBL5317240

COc1cc(C)ccc1Oc1ccc(Cl)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
L3MBTL1 Q9Y468 9/20 0.49
MAPT P10636 8/20 0.49
HPGD P15428 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5320413 0.81 MEN1 (0.41) L3MBTL1MAPTHPGDMEN1KMT2A
SCHEMBL15836991 0.79 CA12 (0.48) ACHEL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5316585 0.77 L3MBTL1 (0.51) ACHEL3MBTL1MAPTHPGDMEN1
SCHEMBL5317250 0.77 ACHE (0.50) ACHEL3MBTL1MAPTHPGDMEN1
SCHEMBL5318993 0.74 ACHE (0.50) ACHEL3MBTL1MAPTHPGDMEN1
SCHEMBL3788515 0.74 MEN1 (0.40) MAPTHPGDMEN1KMT2ACYP2C19
SCHEMBL10639618 0.73 TTR (0.49) L3MBTL1MAPTHPGDALDH1A1MAPK1
SCHEMBL29862129 0.73
SCHEMBL321951 0.73
SCHEMBL14577511 0.73 MEN1 (0.77) MAPTHPGDMEN1KMT2ACYP2C9

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