SCHEMBL28078971

SCHEMBL28078971

CCCCCCCCCCCCCCCCCC(=O)C(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 1/20 0.34
VCAM1 P19320 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL27459727 0.84 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL3124479 0.83 CYP2C19 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL27950319 0.83 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL4613195 0.83 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28002297 0.83 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28002293 0.83 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL1116415 0.83 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL28002622 0.83 NR5A2 (0.46) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL7777547 0.83 GAA (0.44) NR5A2NR5A1CYP1A2CYP3A4TSHR
SCHEMBL3679812 0.81 NR5A2 (0.47) NR5A2NR5A1CYP1A2CYP3A4CYP2C9

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
CN-105705570-A Coated substrate having improved coating properties 株式会社艾迪科 2016-06-22 CN disclosed