SCHEMBL14747940

SCHEMBL14747940

CCC[C@@H](CC)OSc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
KCNH2 Q12809 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AOC3 Q16853 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
FFAR1 O14842 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CTSK P43235 2/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL15511005 0.84 ALDH1A1 (0.32) KCNH2MAOAMAOBALDH1A1MAPK1
SCHEMBL15510589 0.84 KCNH2 (0.31) KCNH2MAOAMAOB
SCHEMBL15510892 0.80 KCNH2 (0.33) KCNH2MAOAMAOBLMNAALDH1A1
SCHEMBL16912688 0.71
SCHEMBL11065085 0.71 PPARG (0.44) PPARGPPARALMNAALDH1A1MAPT
SCHEMBL13287573 0.70 ALDH1A1 (0.40) PPARGPPARAKCNH2MAOAMAOB
SCHEMBL15510911 0.69 PTGES (0.32) PPARGPPARA
SCHEMBL21035917 0.69 MAOA (0.40) KCNH2MAOAMAOBLMNAALDH1A1
SCHEMBL28379863 0.68 TSHR (0.41) PPARGPPARAALDH1A1MAPK1PRKCA
SCHEMBL13672302 0.68 TSHR (0.41) PPARGPPARAALDH1A1MAPK1PRKCA

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
EP-2565949-A2 Optical semiconductor device Shin-Etsu Chemical Co., Ltd. (JP) 2013-03-06 EP disclosed