SCHEMBL11519871

SCHEMBL11519871

COc1cc(C(=O)O)cc(C=Cc2ccccc2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.51
TRPA1 O75762 1/20 0.51
TNFRSF1A P19438 2/20 0.51
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1B1 Q16678 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KCNA3 P22001 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TUBB1 Q9H4B7 2/20 0.47
SLC37A4 O43826 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL11519865 1.00 NFE2L2 (0.51) NFE2L2TRPA1TNFRSF1AMAPTNPSR1
SCHEMBL28658747 0.86 MAPT (0.60) NFE2L2TRPA1MAPTNPSR1CYP1A1
SCHEMBL6233121 0.86 MAPT (0.61) NFE2L2TRPA1MAPTNPSR1CYP1A1
SCHEMBL6233123 0.86 MAPT (0.61) NFE2L2TRPA1MAPTNPSR1CYP1A1
SCHEMBL28485401 0.76 MAPT (0.48) NFE2L2TRPA1TNFRSF1AMAPTNPSR1
SCHEMBL9515990 0.76 CA1 (0.69) CYP1A2KMT2ACYP3A4CA12CA1
SCHEMBL16191542 0.75 MAPT (0.57) NFE2L2TRPA1MAPTNPSR1CYP1A1
SCHEMBL16191546 0.75 MAPT (0.57) NFE2L2TRPA1MAPTNPSR1CYP1A1
SCHEMBL30358578 0.75 MAPT (0.57) NFE2L2TRPA1MAPTNPSR1CYP1A1
SCHEMBL9729072 0.75 TNFRSF1A (0.59) NFE2L2TRPA1TNFRSF1AMAPTNPSR1

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-4172949-A 2,4-Disubstituted-5-oxo-5H-dibenzo[a,d]cycloheptenes SYNTEX (U.S.A.) INC. (US) 1979-10-30 US disclosed