SCHEMBL27993003

SCHEMBL27993003

COc1ccc(C=CCCC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.56
GRIK2 Q13002 1/20 0.56
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GSK3B P49841 2/20 0.53
F3 P13726 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
LDHA P00338 1/20 0.50
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BACE1 P56817 1/20 0.49
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48

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
SCHEMBL27993002 0.88 GSK3B (0.54) GRIK1GRIK2THRBATMNPC1
SCHEMBL11553952 0.84 GSK3B (0.47) GRIK1GRIK2THRBATMNPC1
SCHEMBL11553950 0.84 GSK3B (0.47) GRIK1GRIK2THRBATMNPC1
SCHEMBL16710517 0.84 NPC1 (0.65) GRIK1GRIK2THRBATMNPC1
SCHEMBL7104294 0.83 GRIK1 (0.49) GRIK1GRIK2THRBATMNPC1
SCHEMBL28119671 0.82 PPARA (0.51) BCHE
SCHEMBL7999191 0.81 LTB4R (0.65) GRIK1GRIK2THRBATMNPC1
SCHEMBL8862104 0.81 LTB4R (0.65) GRIK1GRIK2THRBATMNPC1
SCHEMBL8003031 0.80 LTB4R (0.70) GRIK1GRIK2THRBATMNPC1
SCHEMBL27965598 0.80 PAM (0.55) GRIK1GRIK2F3SMN1; SMN2LMNA

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
CN-104364675-A Lightfast polyurethane composition BAYER MATERIALSCIENCE AG 2015-02-18 CN disclosed