SCHEMBL7603044

SCHEMBL7603044

C=C(C)c1ccccc1O.C=Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.41
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TNIK Q9UKE5 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD11B1 P28845 1/20 0.35
HSD17B3 P37058 1/20 0.35
UQCRB P14927 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33

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
4-Vinylphenol SCHEMBL5069321 0.84 ALDH1A1 (0.46) LMNAKMT2AMEN1NPC1ALDH1A1
SCHEMBL8520583 0.80 ESRRG (0.47) ESRRGLMNAKMT2AMEN1NPC1
Phenol SCHEMBL7603296 0.77 LMNA (0.54) ESRRGLMNATYRTNIKCYP1A2
Styrene SCHEMBL7512832 0.76 ALDH1A1 (0.61) ESRRGLMNATYRNPC1CYP1A2
SCHEMBL15198 0.76 ALDH1A1 (0.58) LMNATYRKMT2AMEN1NPC1
SCHEMBL29349932 0.76 KMT2A (0.56) LMNAKMT2AMEN1NPC1ALDH1A1
SCHEMBL27516051 0.76 KMT2A (0.56) LMNAKMT2AMEN1NPC1ALDH1A1
SCHEMBL208880 0.76 KMT2A (0.56) LMNAKMT2AMEN1NPC1ALDH1A1
4-Vinylphenol SCHEMBL27635108 0.76 LMNA (0.57) ESRRGLMNATYRKMT2AMEN1
4-Vinylphenol SCHEMBL20515235 0.75 LMNA (0.67) ESRRGLMNATYRKMT2AMEN1

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-6399740-B1 BY-PRODUCT INHIBITION GEORGIA-PACIFIC RESINS, INC. 2002-06-04 US disclosed