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SCHEMBL8498367

SCHEMBL8498367

CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)[C@@H]1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR3C1 P04150 1/20 0.47

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
SCHEMBL8826226 1.00 MEN1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8826219 1.00 MEN1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8498369 1.00 MEN1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9092963 0.92 MEN1 (0.47) MEN1KMT2A
SCHEMBL8496461 0.89 TDP1 (0.46) MEN1KMT2A
SCHEMBL8496467 0.89 TDP1 (0.46) MEN1KMT2A
SCHEMBL8825968 0.89 TDP1 (0.46) MEN1KMT2A
SCHEMBL8825972 0.89 TDP1 (0.46) MEN1KMT2A
SCHEMBL8826308 0.88 MEN1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8496017 0.88 MEN1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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