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SCHEMBL8494497

SCHEMBL8494497

CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)[C@@H]1C(=O)N(C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LTB4R Q15722 1/20 0.53
▸ LTB4R2 Q9NPC1 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL8826002 1.00 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL8494501 1.00 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL8826005 1.00 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL8694100 0.86 ALOX5 (0.51) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL8498369 0.85 MEN1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL8826226 0.85 MEN1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL8826219 0.85 MEN1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL8498367 0.85 MEN1 (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL6418344 0.82 ALOX5 (0.74) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL8652025 0.80 ALOX5 (0.76) ALOX5PTGS1PTGS2L3MBTL1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 — — EP disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 — — EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 — — WO disclosed