SCHEMBL9289461

SCHEMBL9289461

C=CCc1ccccc1OP(=O)(O)OCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.41
SRC P12931 1/20 0.40
ADRB2 P07550 5/20 0.40
ADRB1 P08588 3/20 0.40
LMNA P02545 2/20 0.40
HTR1A P08908 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 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
SCHEMBL3474948 0.87 KDM4E (0.45) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL9417622 0.86 SRC (0.42) KDM4EALDH1A1SRCADRB2ADRB1
SCHEMBL5612242 0.81 KDM4E (0.41) KDM4EALDH1A1SRCADRB2ADRB1
SCHEMBL175488 0.81 SRC (0.50) KDM4EALDH1A1SRCADRB2ADRB1
SCHEMBL2732358 0.80 KDM4E (0.43) KDM4EALDH1A1SRCADRB2ADRB1
SCHEMBL779407 0.78 KDM4E (0.46) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL778135 0.78 KDM4E (0.43) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL28972481 0.78 KDM4E (0.42) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL31127744 0.77 KDM4E (0.44) KDM4EALDH1A1ADRB2ADRB1LMNA
SCHEMBL541751 0.77 KDM4E (0.44) KDM4EALDH1A1ADRB2ADRB1LMNA

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-5478365-A Combustible heavy hydrocarbon in water emulsion containing nitrogen base neutralized phosphate ester emulsifier, high molecular weight water soluble thickener/stabilizer, water, spherical particles of high softening point hydrocarbon CHEVRON U.S.A. INC. (US) 1995-12-26 US disclosed