SCHEMBL5606544

SCHEMBL5606544

Cc1ccc(C(=O)C(C)(C)O)cc1CNCc1cccc(C(=O)C(C)(C)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CD38 P28907 2/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.31
POLB P06746 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL3672300 0.87 EPHX2 (0.37) HPGDNPC1KMT2AMEN1ALDH1A1
SCHEMBL5606541 0.77 HDAC1 (0.40) NPC1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3676253 0.72 PKM (0.46) HPGDHTTMAPTSMN1; SMN2LMNA
SCHEMBL3674836 0.70 MRGPRX4 (0.41) HPGDHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL15197916 0.68 MEP1B (0.48) KMT2AMEN1SMN1; SMN2
SCHEMBL3677136 0.68 MRGPRX4 (0.39) HPGDNPC1HTTALDH1A1KDM4E
SCHEMBL7640361 0.67 SMN1; SMN2 (0.50) HPGDNPC1HTTKMT2AMEN1
SCHEMBL3671198 0.66 LMNA (0.37) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3672416 0.66 MRGPRX4 (0.38) HPGDNPC1HTTALDH1A1MAPT
SCHEMBL12013627 0.65 ACHE (0.50) KMT2A

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-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed