SCHEMBL8826133

SCHEMBL8826133

O=C(O)[C@H]1[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H](C(=O)O)[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8826139 1.00 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8496214 1.00 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8496219 1.00 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8496217 1.00 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8826234 0.90 AGER (0.47) MEN1KMT2A
SCHEMBL8497090 0.90 AGER (0.47) MEN1KMT2A
SCHEMBL8826230 0.90 AGER (0.47) MEN1KMT2A
SCHEMBL8497094 0.90 AGER (0.47) MEN1KMT2A
SCHEMBL8492532 0.87 NR3C1 (0.51) —
SCHEMBL8826152 0.87 NR3C1 (0.51) —

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-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 — — US disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 — — WO disclosed
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