SCHEMBL28059367

SCHEMBL28059367

CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CCCCCC(CCOC(=O)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCC(CCOC(=O)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.CCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.37
ALOX5 P09917 4/20 0.37
PPARG P37231 4/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
VCAM1 P19320 3/20 0.34
CNR2 P34972 3/20 0.34
P2RY10 O00398 4/20 0.33
CNR1 P21554 2/20 0.33
NAAA Q02083 1/20 0.33
PPARA Q07869 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GPR174 Q9BXC1 2/20 0.31
GPR34 Q9UPC5 1/20 0.31

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
SCHEMBL5076172 0.88 PTGES (0.45) PTGESALOX5PPARGTHRATHRB
SCHEMBL30982225 0.88 PTGES (0.45) PTGESALOX5PPARGTHRATHRB
SCHEMBL5454749 0.82 PTGES (0.44) PTGESALOX5PPARGTHRATHRB
SCHEMBL11379145 0.82 THRA (0.51) ALOX5THRATHRBGAAKMT2A
SCHEMBL1802033 0.82 NAAA (0.43) THRATHRBGAAVCAM1CNR2
SCHEMBL6897049 0.82 NAAA (0.43) THRATHRBGAAVCAM1CNR2
SCHEMBL6898744 0.82 NAAA (0.43) THRATHRBGAAVCAM1CNR2
SCHEMBL10726564 0.82 THRA (0.51) ALOX5THRATHRBGAAKMT2A
SCHEMBL6895017 0.81 NAAA (0.41) GAAKMT2AVCAM1NAAA
SCHEMBL11413683 0.79 PPARG (0.41) PTGESALOX5PPARGGAAKMT2A

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-105802716-A Grease for rolling bearing, rolling bearing, rolling bearing device, and information recording and reproducing apparatus 精工电子有限公司 2016-07-27 CN disclosed