SCHEMBL10694899

SCHEMBL10694899

CCC(=O)CCc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.57
TAAR1 Q96RJ0 1/20 0.52
FFAR4 Q5NUL3 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
DAO P14920 1/20 0.45
CTBP2 P56545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL7337631 0.91 TAAR1 (0.57) TAAR1FFAR4TDP1L3MBTL1CASP3
SCHEMBL110045 0.88 IAPP (0.58) IAPPTAAR1FFAR4TDP1L3MBTL1
SCHEMBL4659299 0.84 TAAR1 (0.59) TAAR1FFAR4TDP1L3MBTL1CASP3
SCHEMBL7507667 0.83 MMP12 (0.54) TAAR1FFAR4TDP1L3MBTL1HDAC3
SCHEMBL28910429 0.82 IAPP (0.62) IAPPTAAR1HDAC6
SCHEMBL29842802 0.81 ALDH1A1 (0.62) TAAR1FFAR4CASP3CASP7HDAC3
SCHEMBL456436 0.81 FFAR4 (0.67) TAAR1FFAR4THRATHRBCTBP2
SCHEMBL2027905 0.81 ALDH1A1 (0.62) TAAR1FFAR4CASP3CASP7HDAC3
SCHEMBL2436067 0.81 CTBP2 (0.56) TAAR1TDP1L3MBTL1CASP3CASP7
SCHEMBL11069047 0.81 KMT2A (0.49) TAAR1FFAR4TDP1L3MBTL1HDAC3

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-0269916-A1 Saccharin salts of substituted hydroxypropylamines BAYER AG (DE) 1988-06-08 EP disclosed