SCHEMBL9783450

SCHEMBL9783450

BCC=C(c1ccccc1)c1ccccc1.CCCCCc1nc[nH]c1CCCCC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ TBXAS1 P24557 6/20 0.32
▸ DHFR P00374 1/20 0.32
▸ CES2 O00748 2/20 0.31
▸ CES1 P23141 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GCGR P47871 1/20 0.31

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
SCHEMBL9783596 0.85 NR5A2 (0.31) —
SCHEMBL721194 0.78 HRH3 (0.41) HTTL3MBTL1
SCHEMBL21643895 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643910 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643897 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643919 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643904 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643932 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643947 0.77 HRH3 (0.40) HTTL3MBTL1
SCHEMBL21643983 0.77 HRH3 (0.40) HTTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 — — US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 — — EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
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