SCHEMBL5613832

SCHEMBL5613832

CC(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
DBH P09172 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL3670889 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL278995 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL21812139 0.86 KMT2A (0.44) ALDH1A1KDM4EDBHGAARECQL
SCHEMBL3729865 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL5569738 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL3674901 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL3671829 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL3669491 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL3674933 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG
SCHEMBL3682176 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHDAC4HDAC6PPARG

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