SCHEMBL531446

SCHEMBL531446

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ATM Q13315 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL4473656 1.00 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL22323298 1.00 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
Benzoquinone SCHEMBL28168482 0.92 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL9470043 0.90 KMT2A (0.54) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL2393243 0.83 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL15209971 0.82 LDHA (0.49) MEN1KMT2AALDH1A1L3MBTL1PSEN1
SCHEMBL1701279 0.81 KMT2A (0.76) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL4662517 0.79 TSHR (0.45) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL1371851 0.79 TSHR (0.45) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL1371848 0.79 TSHR (0.45) MEN1KMT2ALMNAALDH1A1HPGD

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
EP-3920922-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2021-12-15 EP disclosed
WO-2020161663-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-08-13 WO disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed