SCHEMBL9850596

SCHEMBL9850596

C=C(C)C(=O)c1ccc(CC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.64
THRB P10828 1/20 0.64
ALDH1A1 P00352 5/20 0.57
MAPT P10636 3/20 0.55
PLK1 P53350 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
HTT P42858 1/20 0.41
NQO2 P16083 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6259079 0.84 ALDH1A1 (0.70) ALDH1A1MAPTPLK1SMN1; SMN2TDP1
SCHEMBL28670034 0.84 MAPT (0.71) THRATHRBMAPTSMN1; SMN2KMT2A
SCHEMBL11645482 0.84 THRB (0.75) THRATHRBALDH1A1MAPTPLK1
SCHEMBL21840691 0.83 THRA (0.59) THRATHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL17802303 0.83 ALDH1A1 (0.61) THRATHRBALDH1A1MAPTPLK1
SCHEMBL19405232 0.82 THRA (0.57) THRATHRBMAPTSMN1; SMN2KMT2A
SCHEMBL18286692 0.82 THRB (0.57) THRATHRBALDH1A1MAPTPLK1
SCHEMBL4211721 0.80 ALDH1A1 (0.64) THRBALDH1A1MAPTPLK1SMN1; SMN2
SCHEMBL14291711 0.79 ALDH1A1 (0.57) THRATHRBALDH1A1MAPTPLK1
SCHEMBL28404667 0.78 ALDH1A1 (0.68) ALDH1A1PLK1SMN1; SMN2TDP1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54066640-A None JP disclosed
EP-0423524-A2 Propiophenone derivatives and their preparation and pharmaceutical use MARUHO Co., Ltd. (JP) 1991-04-24 EP disclosed
JP-S5466640-A NOVEL ACRYLOPHENONE DERIVATIVE AND ITS PREPARATION ASAHI CHEM IND CO LTD 1979-05-29 JP disclosed