SCHEMBL10625366

SCHEMBL10625366

CC(C)(C)c1ccc(CCC(O)CCc2ccc(C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.59
EPHX2 P34913 9/20 0.59
ESRRG P62508 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ESRRB O95718 1/20 0.54
LMNA P02545 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10820851 0.89 NR1H4 (0.58) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL4692558 0.84 RAB9A (0.63) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL10629599 0.83 NR1H4 (0.57) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL10629576 0.75 CYP4F2 (0.58) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL2657987 0.74 NR1H4 (0.59) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL10349518 0.73 MEN1 (0.53) RAB9ANPC1CA1CA2MEN1
SCHEMBL11107537 0.72 KDM4E (0.80) HDAC6CA1CA2KMT2A
SCHEMBL11828934 0.72 ESRRG (0.49) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL22651514 0.72 ESRRG (0.49) NR1H4EPHX2ESRRGRAB9ANPC1
SCHEMBL8829626 0.72 RXRA (0.56) NR1H4EPHX2ESRRGRAB9ANPC1

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
US-4778925-A ANTILIPEMIC AGENTS KLINGE PHARMA GMBH (DE) 1988-10-18 US disclosed