SCHEMBL22910035

SCHEMBL22910035

CCC(O)c1cc(C)c(C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TOP1 P11387 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 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
SCHEMBL7091158 0.84 MGAM (0.53) ADRA2AADRA1AGAACYP3A4TSHR
SCHEMBL31588099 0.84 MGAM (0.53) ADRA2AADRA1AGAACYP3A4TSHR
SCHEMBL22910136 0.81 CA12 (0.54) ADRA2AADRA1AGAAPOLBGFER
SCHEMBL1922536 0.78 ACHE (0.48) ADRA2AADRA1APOLBCYP3A4TSHR
SCHEMBL17409054 0.77 PDE2A (0.39)
SCHEMBL17409058 0.77 PDE2A (0.39)
SCHEMBL20970925 0.76 ADRA2A (0.57) ADRA2AADRA1AGAAPOLBGFER
SCHEMBL29543324 0.76 ADRA2A (0.57) ADRA2AADRA1AGAAPOLBGFER
SCHEMBL9173075 0.74 ADRA2A (0.56) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL29825075 0.74 ADRA1A (0.75) ADRA2AADRA1ATSHRADRB2ADRB1

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
EP-3389379-B1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-20 EP disclosed