SCHEMBL29008269

SCHEMBL29008269

COc1ccc(C(=O)C=Cc2c(OC)ccc(O)c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL12 P48061 1/20 0.64
▸ ABCG2 Q9UNQ0 4/20 0.61
▸ GABRA3 P34903 1/20 0.60
▸ GABRA2 P47869 1/20 0.60
▸ GABRB2 P47870 1/20 0.60
▸ TNFRSF1A P19438 3/20 0.59
▸ F3 P13726 2/20 0.57
▸ MAOB P27338 1/20 0.57
▸ DPP4 P27487 2/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ P4HB P07237 1/20 0.56
▸ CALM1 P0DP23 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ XDH P47989 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ KRAS P01116 1/20 0.56

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
SCHEMBL27816898 0.81 KRAS (0.67) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL5606932 0.81 ABCG2 (0.78) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL14837108 0.81 ABCG2 (0.78) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL27946359 0.80 F3 (0.64) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL27946358 0.80 F3 (0.64) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL15155210 0.80 ABCG2 (0.94) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL15155219 0.80 ABCG2 (0.94) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL20608569 0.79 TNFRSF1A (0.70) CXCL12ABCG2GABRA3GABRA2GABRB2
SCHEMBL25195682 0.78 CXCL12 (0.80) CXCL12ABCG2TNFRSF1AF3MAOB
SCHEMBL7177255 0.78 CAPN1 (0.60) ABCG2F3MAOBDPP4PTPN1

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-115821489-A High-adsorptivity hot air non-woven fabric and preparation method thereof 邵阳东州无纺布有限公司 2023-03-21 — — CN disclosed
Send feedback