SCHEMBL27836366

SCHEMBL27836366

CCCOc1ccccc1[C@@H](O)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PPARA Q07869 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
TSHR P16473 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SGMS2 Q8NHU3 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1901084 1.00 PPARG (0.41) PPARGPPARACYSLTR2CYSLTR1TSHR
SCHEMBL1899824 0.92 CYP1A2 (0.47) PPARGPPARACYSLTR2CYSLTR1ALDH1A1
SCHEMBL1200542 0.88 CTDSP1 (0.46) TSHRALDH1A1LMNASGMS2CYP1A2
SCHEMBL23095838 0.81 PPARG (0.46) PPARGPPARACYSLTR2CYSLTR1ADRB2
SCHEMBL22144397 0.79 TSHR (0.47) TSHRALDH1A1LMNASGMS2CYP1A2
SCHEMBL1199570 0.79 TSHR (0.47) TSHRALDH1A1LMNASGMS2CYP1A2
SCHEMBL11085344 0.77 CYP1A2 (0.38) PPARGPPARACYSLTR2CYSLTR1ALDH1A1
SCHEMBL1201041 0.77 TSHR (0.36) TSHRALDH1A1LMNASGMS2CYP1A2
SCHEMBL1200535 0.77 KMT2A (0.44) PPARGPPARATSHRLMNAKDM4E
SCHEMBL1201038 0.77 LTA4H (0.49) LMNACYP1A2NPC1RAB9ACYP2C19

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-103965650-A Disperse red 356 preparation method JIANGSU DAOBO CHEMICAL CO LTD 2014-08-06 CN claimed
CN-103965650-A Disperse red 356 preparation method JIANGSU DAOBO CHEMICAL CO LTD 2014-08-06 CN disclosed
CN-102131761-A Process for producing alpha-hydroxy ester compound SUMITOMO CHEMICAL CO 2011-07-20 CN disclosed