SCHEMBL9769164

SCHEMBL9769164

CCCCCCc1cc(C)co1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 3/20 0.38
PPARA Q07869 1/20 0.36
ELANE P08246 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL3923663 0.98 MAPT (0.41) MAPTSMN1; SMN2PTGS2PPARAELANE
SCHEMBL25907674 0.92 MAPT (0.38) MAPTSMN1; SMN2
SCHEMBL9769157 0.78 MAPT (0.37) MAPTPTGS2PPARAELANECYP3A4
SCHEMBL9507890 0.74 HIF1A (0.39) MAPTPPARAELANE
SCHEMBL22342732 0.74 HIF1A (0.39) MAPTPPARAELANE
SCHEMBL13381376 0.73
SCHEMBL30982893 0.73 TYR (0.64) ELANE
SCHEMBL11407867 0.73 PPARA (0.41) PTGS2PPARAELANECYP3A4
SCHEMBL11858889 0.72 MAPT (0.86) MAPTSMN1; SMN2ELANE
SCHEMBL11859633 0.72 MAPT (0.86) MAPTSMN1; SMN2ELANE

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-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
EP-0303269-A2 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 EP disclosed