SCHEMBL8844776

SCHEMBL8844776

c1ccc(C(CCOc2ccc(CCc3nnn[nH]3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.39
▸ KCNH2 Q12809 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ GP6 Q9HCN6 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ BCL2 P10415 1/20 0.34

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
SCHEMBL8844670 0.89 LTA4H (0.40) LTA4HMAPTHTT
SCHEMBL8381011 0.79 GP6 (0.35) LTA4HKCNH2GP6NPC1RAB9A
SCHEMBL5727200 0.78 MAPT (0.34) LTA4HCHRNB4CHRNA3CHRNA7GP6
SCHEMBL4715479 0.75 DAO (0.47) KCNH2ALDH1A1LMNAMAPTHPGD
SCHEMBL8381114 0.74 LTA4H (0.50) LTA4HKCNH2NPC1RAB9A
SCHEMBL14021849 0.73 RAB9A (0.50) LTA4HLMNAHTTNPC1RAB9A
SCHEMBL14021516 0.73 LTA4H (0.46) LTA4HCHRNB4CHRNA3CHRNA7LMNA
SCHEMBL1745631 0.71 FFAR1 (0.57) LTA4HFFAR1
SCHEMBL8383387 0.71 LTA4H (0.41) LTA4HKCNH2NPC1RAB9A
SCHEMBL8381006 0.71 MAOB (0.53) LTA4HKCNH2

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
WO-1997048676-A1 TRIPHENYLALKYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 — — WO claimed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 — — US disclosed
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