SCHEMBL11074712

SCHEMBL11074712

CCCCC(C#N)c1cccc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 2/20 0.36
PTGS2 P35354 1/20 0.36
TOP1 P11387 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL18284609 0.84 PPARG (0.40) SMN1; SMN2MAPTALDH1A1ALOX5PTGS2
SCHEMBL28981975 0.76 IMPDH2 (0.45) MAPTTSHRCNR2
SCHEMBL31287474 0.75 TOP1 (0.52) SMN1; SMN2MAPTALDH1A1ALOX5PTGS2
SCHEMBL11357537 0.74 LTA4H (0.41) MAPT
SCHEMBL28309046 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1ALOX5PTGS2
SCHEMBL1613739 0.74 TOP1 (0.53) SMN1; SMN2MAPTALDH1A1ALOX5PTGS2
SCHEMBL9835141 0.74 PPARG (0.42) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL734007 0.73 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1ALOX5KDM4E
SCHEMBL7467421 0.72 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1ALOX5PTGS2
SCHEMBL24663171 0.72 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1TSHR

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-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP disclosed