SCHEMBL28021995

SCHEMBL28021995

CCCCCCCCCCCCCCCC(O)Oc1ccccc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PPARA Q07869 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 2/20 0.40
ADRA2A P08913 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL9453366 0.89 THRA (0.51) PPARGTHRATHRBPPARALIPG
SCHEMBL11253519 0.80 L3MBTL1 (0.46) MAPTADRA2ALMNACYP3A4ALDH1A1
SCHEMBL4281038 0.80 PPARG (0.40) PPARGPPARAPRSS1PRSS2PRSS3
SCHEMBL28529317 0.79 CYP1A2 (0.53) PPARGPRSS1PRSS2PRSS3MAPT
SCHEMBL30912061 0.79 CYP1A2 (0.53) PPARGPRSS1PRSS2PRSS3MAPT
SCHEMBL8211136 0.79 KDM4E (0.58) PPARGPPARAPRSS1PRSS2PRSS3
SCHEMBL9386182 0.79 ADRA2A (0.38) MAPTADRA2AMEN1KMT2AALDH1A1
SCHEMBL28194596 0.79 PPARG (0.42) PPARGTHRATHRBPPARAPRSS1
SCHEMBL11874209 0.78 THRA (0.52) PPARGTHRATHRBPPARALIPG
SCHEMBL8745739 0.78 THRA (0.52) PPARGTHRATHRBPPARALIPG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105960248-A Formula of neuregulin preparation 上海泽生科技开发股份有限公司 2016-09-21 CN disclosed
CN-104758922-A Formula of neuregulin preparation ZENSUN SHANGHAI SCI & TECH CO LTD 2015-07-08 CN disclosed