SCHEMBL4959835

SCHEMBL4959835

CC1(C)OB(c2ccc(C(=O)O)s2)OC1(C)C.O=C(O)c1ccc(B(O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.36
PKM P14618 1/20 0.33
LIG1 P18858 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
HPGD P15428 1/20 0.33
USP30 Q70CQ3 1/20 0.31
P4HB P07237 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL823673 0.89 DAO (0.44) DAOPKMLIG1RXRARXRB
SCHEMBL4959846 0.87 TSHR (0.32) USP30TSHR
SCHEMBL363172 0.77 DAO (0.50) DAOPKMLIG1HPGDKMT2A
SCHEMBL12785064 0.76 LMNA (0.41) HPGDUSP30P4HBGLAL3MBTL1
SCHEMBL1234104 0.76 NPSR1 (0.45) HPGDUSP30GLAL3MBTL1TSHR
SCHEMBL1475922 0.75 F2 (0.43) USP30P4HB
SCHEMBL30018730 0.73 HPGD (0.48) HPGDUSP30P4HBKMT2AL3MBTL1
SCHEMBL2786387 0.73 KDM4E (0.43) PKMHPGDUSP30GLAKMT2A
SCHEMBL120211 0.70 LPL (0.42) USP30
SCHEMBL4150063 0.70 DAO (0.41) DAOPKMLIG1RXRARXRB

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-1888573-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125807-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed