SCHEMBL4571014

SCHEMBL4571014

CC(=O)CCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.64
EPHX2 P34913 6/20 0.64
KMT2A Q03164 1/20 0.61
HDAC1 Q13547 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
PPARG P37231 1/20 0.53
SELL P14151 1/20 0.51
SELP P16109 1/20 0.51
SELE P16581 1/20 0.51
PTPN1 P18031 1/20 0.51
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL4238755 0.85 MEN1 (0.59) NR1H4EPHX2KMT2AHDAC1HDAC6
SCHEMBL1058497 0.85 ALDH1A1 (0.67) KMT2ALMNARAB9A
SCHEMBL26604271 0.80 RARB (0.64) KMT2A
SCHEMBL10099575 0.80 NR1H4 (0.84) NR1H4EPHX2KMT2AHDAC1HDAC6
SCHEMBL16088685 0.79 APEX1 (0.74) KMT2APPARGLMNA
SCHEMBL6245871 0.79 NR1H4 (0.71) NR1H4EPHX2KMT2AHDAC1HDAC6
SCHEMBL4747957 0.79 NR1H4 (0.81) NR1H4EPHX2KMT2AHDAC1HDAC6
SCHEMBL22987225 0.78 PPARG (0.81) NR1H4EPHX2HDAC1HDAC6PPARG
SCHEMBL2833527 0.78 KMT2A (0.68) NR1H4EPHX2KMT2AHDAC1HDAC6
SCHEMBL22059607 0.78 EPHX2 (1.00) NR1H4EPHX2KMT2AHDAC6LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009125191-A1 BENZENE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2009-10-15 WO disclosed