SCHEMBL9454674

SCHEMBL9454674

BrCc1cccc(-c2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.46
▸ LTA4H P09960 2/20 0.41
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PRKCI P41743 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ KCNJ1 P48048 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ EDNRB P24530 1/20 0.33

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
SCHEMBL1804513 0.83 PRKCI (0.53) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL12648428 0.83 NOTUM (0.50) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL28164766 0.83 HPGDS (0.46) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL9863754 0.83 HPGDS (0.46) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL9507339 0.82 HPGDS (0.53) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL3964365 0.82 HPGDS (0.58) HPGDSLTA4HNOTUMCHRNA7CHRNA10
SCHEMBL6221648 0.81 HPGDS (0.44) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL14983820 0.80 HPGDS (0.43) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL16383003 0.80 HPGDS (0.43) HPGDSLTA4HHCRTR1HCRTR2CYP3A4
SCHEMBL372827 0.79 LTA4H (0.50) HPGDSLTA4HCHRNA7CHRNA10CHRNA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 — — US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
EP-0165649-B1 FLUOROPOLYETHER COMPOUNDS Montedison S.p.A. (IT) 1990-04-18 — — EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 — — EP disclosed
EP-0165649-A2 Fluoropolyether compounds Montedison S.p.A. (IT) 1985-12-27 — — EP disclosed
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