SCHEMBL28906370

SCHEMBL28906370

COc1ccc(C(=O)C=Cc2ccc(O)cc2C=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.63
CTSB P07858 3/20 0.63
CAPN1 P07384 1/20 0.63
GABRA3 P34903 1/20 0.63
GABRA2 P47869 1/20 0.63
GABRB2 P47870 1/20 0.63
TNFRSF1A P19438 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MAPT P10636 2/20 0.62
F3 P13726 2/20 0.62
P4HB P07237 1/20 0.62
CALM1 P0DP23 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
XDH P47989 1/20 0.62
KMT2A Q03164 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.57
MAOB P27338 2/20 0.56
DPP4 P27487 2/20 0.55

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
SCHEMBL10384464 0.86 GABRA3 (0.84) CTSLCTSBCAPN1GABRA3GABRA2
SCHEMBL1603827 0.86 CHRNA7 (0.75) CTSLCTSBCAPN1GABRA3GABRA2
SCHEMBL1603828 0.86 CHRNA7 (0.75) CTSLCTSBCAPN1GABRA3GABRA2
SCHEMBL26113846 0.85 CTSB (0.86) CTSLCTSBCAPN1GABRA3GABRA2
SCHEMBL28906362 0.83 CAPN1 (0.66) CTSLCTSBCAPN1TDP1P4HB
SCHEMBL28906376 0.83 CHRNA7 (0.73) TDP1MAPTRAB9AMEN1ALDH1A1
SCHEMBL28906356 0.83 CTSL (0.62) CTSLCTSBCAPN1TNFRSF1ATDP1
SCHEMBL28339980 0.83 GABRA3 (0.78) CTSLCTSBGABRA3GABRA2GABRB2
SCHEMBL4139154 0.83 GABRA3 (0.78) CTSLCTSBGABRA3GABRA2GABRB2
SCHEMBL7180313 0.80 TNFRSF1A (0.86) CTSLCTSBCAPN1TNFRSF1ATDP1

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-115304513-A Chalcone derivative with anti-inflammatory activity and synthesis method and application thereof 湖北科技学院 2022-11-08 CN disclosed