SCHEMBL31505246

SCHEMBL31505246

CCC1(CC)c2cc(-c3cccc(C(=O)O)c3)ccc2-c2ccc(-c3cccc(C(=O)O)c3)cc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.56
▸ KMO O15229 2/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ FOLH1 Q04609 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PTPN11 Q06124 2/20 0.47
▸ RXRA P19793 3/20 0.47
▸ RXRB P28702 3/20 0.47
▸ BCL2 P10415 1/20 0.47
▸ RARA P10276 1/20 0.45
▸ RARB P10826 1/20 0.45
▸ RARG P13631 1/20 0.45
▸ ERN1 O75460 1/20 0.44

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
SCHEMBL31128645 0.82 POLB (0.47) PDK2TDP2GAARXRARXRB
SCHEMBL31177941 0.75 PTPN11 (0.48) PDK2FOLH1PTPN11
SCHEMBL14683877 0.75 KMO (0.87) KMOTDP2LMNAGAARXRA
SCHEMBL29577419 0.75 KMO (0.87) KMOTDP2LMNAGAARXRA
SCHEMBL71238 0.75 KMO (0.86) KMOLMNAGAARXRARXRB
SCHEMBL29904709 0.75 KMO (0.86) KMOLMNAGAARXRARXRB
SCHEMBL30725957 0.75 KMO (0.86) KMOLMNAGAARXRARXRB
SCHEMBL2129264 0.74 PDK2 (0.44) PDK2
SCHEMBL2881684 0.74 MEN1 (0.45) LMNA
SCHEMBL13756311 0.73 BCL2 (0.71) KMOLMNAGAAPTPN11RXRA

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-119875134-A Zinc complex crystal material for fluorescence detection of metal ions and preparation method and application thereof 宁波大学 2025-04-25 — — CN claimed
CN-119875134-A Zinc complex crystal material for fluorescence detection of metal ions and preparation method and application thereof 宁波大学 2025-04-25 — — CN disclosed
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