SCHEMBL28036336

SCHEMBL28036336

CCCCCOc1ccccc1C(C)C(=O)C(C)c1ccccc1OCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56
PPARG P37231 6/20 0.55
LMNA P02545 4/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PPARA Q07869 2/20 0.53
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL28036402 0.98 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL1165782 0.89 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL4041854 0.88 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL21624574 0.87 LMNA (0.61) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL11734054 0.82 CYSLTR2 (0.57) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL29033404 0.81 PPARG (0.58) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL11605622 0.80 PPARG (0.60) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL9214705 0.80 LMNA (0.61) CYSLTR2CYSLTR1PPARGLMNACYP3A4
SCHEMBL27842199 0.79 ALDH1A1 (0.43) LMNACYP3A4MEN1KMT2AALDH1A1
SCHEMBL28036337 0.78 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGLMNACYP3A4

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-104981452-A Skin whitening agent containing novel cyclic compound RNS CO LTD 2015-10-14 CN disclosed