SCHEMBL8091675

SCHEMBL8091675

Cc1ccccc1CCNC(=O)C1(C(=O)NC(CCCN)OBOC(CCCN)NC(=O)C2(C(=O)NCCc3ccccc3C)CCCC2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
ALOX12 P18054 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8083437 0.89 MAPT (0.32) MAPTKMT2ATP53MEN1LMNA
SCHEMBL8095466 0.87 CYP2C19 (0.39) KMT2AMEN1ALDH1A1TAAR1
SCHEMBL8095266 0.84 MMP1 (0.39) KMT2AMEN1
SCHEMBL8098087 0.84 MMP8 (0.44) KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL8095182 0.81 MMP8 (0.40) MAPTHPGDL3MBTL1
SCHEMBL8090157 0.80 MTNR1A (0.41) LMNAALDH1A1PARP1POLB
SCHEMBL8095467 0.80 CYP3A4 (0.38) KMT2AMEN1HPGDALDH1A1
SCHEMBL8091392 0.80 CYP2A6 (0.38) KMT2AMEN1LMNASMN1; SMN2PARP1
SCHEMBL8091564 0.80 CPB2 (0.39) KMT2ALMNASMN1; SMN2PSEN1PSEN2
SCHEMBL8091668 0.80 MMP8 (0.39) MAPTHPGDALDH1A1L3MBTL1

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed