SCHEMBL8381006

SCHEMBL8381006

NCc1ccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.53
▸ LTA4H P09960 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ KIF11 P52732 5/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.44
▸ PLA2G2A P14555 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL8381114 0.87 LTA4H (0.50) MAOBLTA4HSMN1; SMN2KIF11KCNH2
SCHEMBL8381271 0.86 ASIC3 (0.43) MAOBLTA4HSMN1; SMN2KIF11KCNH2
SCHEMBL8383387 0.83 LTA4H (0.41) LTA4HSMN1; SMN2KIF11KCNH2
SCHEMBL8385005 0.80 LTB4R (0.49) —
SCHEMBL8381308 0.79 SMN1; SMN2 (0.42) LTA4HSMN1; SMN2KIF11KCNH2TAAR1
SCHEMBL8381057 0.79 LMNA (0.52) LTA4HSMN1; SMN2KIF11
Hydrochloric Acid SCHEMBL8381165 0.78 ALDH1A1 (0.49) LTA4HSMN1; SMN2KIF11KCNH2
SCHEMBL8385021 0.77 TAAR1 (0.50) MAOBKIF11KCNH2TAAR1
Hydrochloric Acid SCHEMBL8383473 0.77 KCNH2 (0.50) LTA4HSMN1; SMN2KIF11KCNH2
Hydrochloric Acid SCHEMBL8385020 0.77 F2 (0.46) LTA4HSMN1; SMN2KIF11KCNH2

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
US-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 — — US disclosed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 — — US disclosed
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