SCHEMBL28458052

SCHEMBL28458052

COCc1cc(OC)ccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
IDO1 P14902 2/20 0.43
HSD17B10 Q99714 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
APLNR P35414 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL30396516 0.85 ENPP2 (0.44) ENPP2CA1CA2IDO1TRIM24
SCHEMBL28983784 0.85 ENPP2 (0.44) ENPP2CA1CA2IDO1TRIM24
SCHEMBL1994361 0.83 HSD17B10 (0.46) ENPP2CA1CA2IDO1HSD17B10
SCHEMBL29958385 0.83 ENPP2 (0.45) ENPP2CA1CA2IDO1HSD17B10
SCHEMBL2319853 0.83 ENPP2 (0.45) ENPP2CA1CA2IDO1HSD17B10
SCHEMBL2279322 0.79 HTR2A (0.38) ENPP2CA1CA2IDO1HSD17B10
SCHEMBL13197059 0.79 GAA (0.50) ENPP2CA1CA2HSD17B10
SCHEMBL29957088 0.78 TRIM24 (0.57) ENPP2CA1CA2TRIM24TYR
SCHEMBL8696330 0.78 TRIM24 (0.57) ENPP2CA1CA2TRIM24TYR
SCHEMBL1828589 0.78 ENPP2 (0.40) ENPP2IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111640954-A Preparation method and application of boron-doped porous graphene cathode catalyst 上海交通大学 2020-09-08 CN claimed
CN-111640954-A Preparation method and application of boron-doped porous graphene cathode catalyst 上海交通大学 2020-09-08 CN disclosed