SCHEMBL4853208

SCHEMBL4853208

CC(C)CCOc1ccc(C(=O)c2ccc(OCCC(C)C)c(OCCC(C)C)c2)cc1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.48
JUN P05412 2/20 0.48
MAPK1 P28482 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LTB4R Q15722 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.41
XDH P47989 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL4281226 0.88 MAPK1 (0.42) FOSJUNMAPK1THRATHRB
SCHEMBL4281229 0.88 MAPK1 (0.42) FOSJUNMAPK1THRATHRB
SCHEMBL4277956 0.88 CYP19A1 (0.44) FOSJUNMAPK1LTB4RPLA2G2D
SCHEMBL4289851 0.83 LMNA (0.46) FOSJUNMAPK1THRATHRB
SCHEMBL4280876 0.82 THRA (0.47) MAPK1THRATHRBXDHHTT
SCHEMBL4277069 0.81 FOS (0.40) FOSJUNMAPK1THRATHRB
SCHEMBL4279655 0.81 FOS (0.56) FOSJUNMAPK1THRATHRB
SCHEMBL4276633 0.81 MAPK1 (0.64) MAPK1XDHHTTPOLBCASP6
SCHEMBL4276406 0.80 ALDH1A1 (0.43) FOSJUNMAPK1THRATHRB
SCHEMBL4276411 0.80 ALDH1A1 (0.43) FOSJUNMAPK1THRATHRB

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
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 EP disclosed