SCHEMBL4869912

SCHEMBL4869912

CCC(CC)(c1cc(OC)c(C(C)C)c(OC)c1)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTPN5 P54829 1/20 0.33
MAPK1 P28482 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MAPT P10636 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR2 P34972 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4609764 0.83 L3MBTL1 (0.44) L3MBTL1MAPK1MAPTALDH1A1CYP2C9
SCHEMBL919301 0.79 HMGCR (0.36) L3MBTL1PDE3BPDE3APTPN5CNR2
SCHEMBL23908217 0.76 PGK1 (0.43) PTPN5PGK1PGK2ALDH1A1KMT2A
SCHEMBL4609991 0.76 KDM4E (0.40) ALDH1A1KMT2A
SCHEMBL2032432 0.75 PTPN5 (0.33) PTPN5TAAR1
SCHEMBL2029811 0.75 ALDH1A1 (0.42) L3MBTL1PTPN5ALDH1A1
SCHEMBL2032329 0.72 P2RX3 (0.34) PTPN5ALDH1A1NPSR1
SCHEMBL29260864 0.72 GCGR (0.42) L3MBTL1PDE3BPDE3ATHRATHRB
SCHEMBL2034116 0.72 PKM (0.34) L3MBTL1PTPN5MAPTALDH1A1CYP1A2
SCHEMBL3815603 0.71 PGK1 (0.47) PGK1PGK2THRATHRBALDH1A1

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
US-7321050-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2008-01-22 US disclosed