SCHEMBL28031952

SCHEMBL28031952

CCCCCC(CC)(OP(=O)(O)O)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.40
S1PR1 P21453 7/20 0.36
S1PR3 Q99500 7/20 0.36
S1PR4 O95977 6/20 0.36
S1PR2 O95136 3/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
GGPS1 O95749 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
S1PR5 Q9H228 5/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
STS P08842 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2047112 0.79 SMPD1 (0.47) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL27553419 0.78 SMPD1 (0.39) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL4451351 0.77 HSP90AA1 (0.33) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL10417233 0.77 SMPD1 (0.41) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL29187410 0.76 SMPD1 (0.43) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL472671 0.75 SMPD1 (0.35) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL28021811 0.75 SMPD1 (0.47) SMPD1S1PR1S1PR3S1PR4S1PR2
SCHEMBL4443601 0.73 ALDH1A1 (0.35) HDAC1HDAC8HDAC6MEN1ALDH1A1
SCHEMBL4443731 0.73 ALDH1A1 (0.35) HDAC1HDAC8HDAC6MEN1ALDH1A1
SCHEMBL4451524 0.73 ALDH1A1 (0.35) HDAC1HDAC8HDAC6MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104914666-A Colored photosensitive resin composition for color filter, color filter and liquid crystal display device having the same DONGWOO FINE CHEM CO LTD 2015-09-16 CN claimed
CN-104914666-A Colored photosensitive resin composition for color filter, color filter and liquid crystal display device having the same DONGWOO FINE CHEM CO LTD 2015-09-16 CN disclosed
CN-104914667-A Colored photosensitive resin composition for color filter, color filter and liquid crystal display device having the same DONGWOO FINE CHEM CO LTD 2015-09-16 CN disclosed