SCHEMBL29622840

SCHEMBL29622840

COCCOCCC1(CCOCCOC)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL31564893 1.00 PDK2 (0.33) PDK2ALDH1A1MAPTHPGDLMNA
SCHEMBL4830511 1.00 PDK2 (0.33) PDK2ALDH1A1MAPTHPGDLMNA
SCHEMBL40624 1.00 PDK2 (0.33) PDK2ALDH1A1MAPTHPGDLMNA
SCHEMBL17448370 0.94 PDK2 (0.30) PDK2ALDH1A1MAPT
SCHEMBL5095683 0.93 PDK2 (0.40) PDK2ALDH1A1MAPTSMN1; SMN2BACE1
SCHEMBL20872220 0.93 PDK2 (0.40) PDK2ALDH1A1MAPTSMN1; SMN2BACE1
SCHEMBL18677952 0.93 PDK2 (0.40) PDK2ALDH1A1MAPTSMN1; SMN2BACE1
SCHEMBL17448396 0.92
SCHEMBL19649420 0.92
SCHEMBL12224598 0.91 HPGD (0.31) PDK2ALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644836-B Carboxylate two-photon dye taking fluorene ring as matrix, synthetic method and application 浙江大学 2023-05-12 CN claimed
CN-114644836-A Carboxylate two-photon dye taking fluorene ring as matrix, and synthesis method and application thereof 浙江大学 2022-06-21 CN claimed
CN-114644836-B Carboxylate two-photon dye taking fluorene ring as matrix, synthetic method and application 浙江大学 2023-05-12 CN disclosed
CN-114644836-A Carboxylate two-photon dye taking fluorene ring as matrix, and synthesis method and application thereof 浙江大学 2022-06-21 CN disclosed