SCHEMBL28607801

SCHEMBL28607801

O=C(O)Cn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.60
▸ PPARD Q03181 6/20 0.56
▸ PPARA Q07869 5/20 0.56
▸ PPARG P37231 4/20 0.56
▸ PLA2G4A P47712 2/20 0.54
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ PLG P00747 2/20 0.45
▸ PLAU P00749 2/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.45
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43

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
SCHEMBL15921713 0.87 PLA2G4A (0.55) KMT2APPARDPPARAPPARGPLA2G4A
SCHEMBL5068315 0.85 TUBB4A (0.57) PPARDPPARAPPARGPLA2G4APLG
SCHEMBL2983210 0.83 PLA2G4A (0.48) PPARDPPARAPPARGPLA2G4APLG
SCHEMBL5387474 0.83 TUBB4A (0.59) KMT2APPARGPLA2G4APLGPLAU
SCHEMBL17514249 0.83 PLA2G4A (0.46) KMT2APPARDPPARAPPARGPLA2G4A
SCHEMBL3469744 0.82 KMT2A (0.51) KMT2APPARDPPARAPPARGITGB3
SCHEMBL1664063 0.82 PLG (0.51) PPARGPLA2G4APLGPLAURAPGEF4
SCHEMBL4234811 0.81 KMT2A (0.62) KMT2APPARDPPARAPPARGITGB3
SCHEMBL30103437 0.81 KMT2A (0.62) KMT2APPARDPPARAPPARGITGB3
SCHEMBL6840419 0.81 F2 (0.54) PLA2G4AITGB3ITGA2B

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-113174056-B Copper-containing coordination polymer based on asymmetric indole dicarboxylic acid, and preparation method and application thereof 江南大学 2022-10-11 — — CN disclosed
CN-113174056-A Copper-containing coordination polymer based on asymmetric indole dicarboxylic acid, and preparation method and application thereof 江南大学 2021-07-27 — — CN disclosed
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