SCHEMBL28992827

SCHEMBL28992827

COC(=O)CCCOc1cc(C)c(C=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ PDE3B Q13370 5/20 0.41
▸ PDE3A Q14432 5/20 0.41
▸ P2RY12 Q9H244 4/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL23843414 0.85 MAPT (0.49) MAPTMCL1TSHRPDE3BPDE3A
SCHEMBL28992825 0.84 MAPT (0.41) MAPTMCL1TSHRPDE3BPDE3A
SCHEMBL1249146 0.83 ALDH1A1 (0.48) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL28992828 0.78 MAPT (0.43) MAPTMCL1TSHRPDE3BPDE3A
SCHEMBL2254418 0.77 MCL1 (0.41) MAPTMCL1TSHRALDH1A1HPGD
SCHEMBL23843383 0.77 MCL1 (0.53) MAPTMCL1TSHRLTA4HALDH1A1
SCHEMBL2251218 0.77 CYP1A2 (0.46) MCL1TSHRALDH1A1HPGDTP53
SCHEMBL10503106 0.77 PDIA6 (0.44) MAPTTSHRLTA4HALDH1A1HPGD
SCHEMBL16012881 0.77 PPARG (0.48) MAPTTSHRPDE3BPDE3AP2RY12
SCHEMBL1251242 0.76 ALDH1A1 (0.41) MAPTTSHRPDE3BPDE3AALDH1A1

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-115872630-B Reprocessing method for improving hydrophilicity of glass 陕西科技大学 2024-01-05 — — CN disclosed
CN-115872630-A Reprocessing method for improving hydrophilicity of glass 陕西科技大学 2023-03-31 — — CN disclosed
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