SCHEMBL16254875

SCHEMBL16254875

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.57
THRA P10827 6/20 0.57
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
AKT1 P31749 1/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
HIF1A Q16665 1/20 0.42
PKM P14618 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14400012 0.86 THRB (0.57) THRBTHRAALDH5A1ABATKMT2A
SCHEMBL11295866 0.81 THRB (0.59) THRBTHRAALDH5A1ABATKMT2A
SCHEMBL4464368 0.81 MEN1 (0.61) THRBTHRAALDH5A1ABATKMT2A
SCHEMBL13227566 0.80 AKT1 (0.46) THRBTHRAKMT2AMEN1AKT1
Methane SCHEMBL27575376 0.79 MEN1 (0.59) THRBTHRAALDH5A1ABATKMT2A
SCHEMBL3435838 0.77 EPHX2 (0.49) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL444583 0.77 MEN1 (0.59) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL27624453 0.77 THRB (0.49) THRBTHRAALDH5A1ABATKMT2A
SCHEMBL11508489 0.76 THRB (0.57) THRBNPC1RAB9APOLBCYP2C9
SCHEMBL25468057 0.76 NPC1 (0.41) THRBTHRAKMT2AMEN1NPC1

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
EP-1731571-B1 SOLUBILIZER AND COMPOSITION CONTAINING SAME KUREHA CORP (JP) 2014-11-19 EP disclosed