SCHEMBL7706809

SCHEMBL7706809

COCOc1ccccc1C1=CC(=NO)CCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
EGFR P00533 1/20 0.34
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 1/20 0.30
ADRB2 P07550 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6433631 0.84 EGFR (0.34) EGFRALDH1A1MAPT
SCHEMBL6433623 0.84 EGFR (0.34) EGFRALDH1A1MAPT
SCHEMBL7708733 0.81 MAPT (0.38) PTGS2EGFRKCNN4MAPT
SCHEMBL7706105 0.75 KCNN4 (0.39) PTGS2EGFRKCNN4KDM4EADRB2
SCHEMBL6048623 0.71 KCNN4 (0.49) EGFRKCNN4ALDH1A1MAPTKDM4E
SCHEMBL11623686 0.70 MKNK1 (0.36) MAPTKDM4E
SCHEMBL11623683 0.70 MKNK1 (0.36) MAPTKDM4E
SCHEMBL29260754 0.69 CCNT1 (0.40) PTGS2EGFRKCNN4KDM4EHPGD
SCHEMBL6433625 0.69 PTGS2 (0.50) PTGS2ALDH1A1MAPTKDM4EHPGD
SCHEMBL30741239 0.65 CA12 (0.48) EGFRKCNN4ALDH1A1MAPTKDM4E

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
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO disclosed