SCHEMBL9680944

SCHEMBL9680944

O=C(C1=CCC(Oc2ccc(O)cc2)(Oc2ccc(O)cc2)C=C1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
HTT P42858 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4D Q08499 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL2154321 0.92 ALDH1A1 (0.37) MEN1KMT2ANPC1ALDH1A1ELANE
SCHEMBL1627987 0.88 PBRM1 (0.35) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL30148113 0.85 MEN1 (0.38) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL10893916 0.84 TDP1 (0.40) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL29865804 0.80 PBRM1 (0.44) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL9750704 0.80 PBRM1 (0.44) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL29390518 0.80 PBRM1 (0.44) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL210845 0.79 ALDH1A1 (0.38) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL9779801 0.77 ELANE (0.41) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL29213171 0.77 ALDH1A1 (0.36) MEN1KMT2ANPC1ALDH1A1ELANE

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-5157105-A Heat curable; thermosetting resins with improved toughness SHELL OIL COMPANY (US) 1992-10-20 US disclosed