SCHEMBL28961585

SCHEMBL28961585

CC(C)C(C)C(C)(C)C1Sc2ccccc2N1Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.33
▸ PTGS1 P23219 2/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ MAOA P21397 1/20 0.31

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
SCHEMBL1025579 0.62 BCHE (0.35) BCHEMAOA
SCHEMBL3276578 0.61 MAOA (0.39) BCHEPTGS1PTGS2MAOA
SCHEMBL13690321 0.61 GSK3B (0.34) MAOA
SCHEMBL16726512 0.59 MAOA (0.36) BCHEMAOA
SCHEMBL16726439 0.59 MAOA (0.36) BCHEMAOA
SCHEMBL20668532 0.59 MAOA (0.41) BCHEPTGS1PTGS2MAOA
SCHEMBL17394655 0.58 BCHE (0.39) BCHE
SCHEMBL1573679 0.58 PPARG (0.37) BCHEMAOA
SCHEMBL7935765 0.58 MAOA (0.35) BCHEPTGS1PTGS2MAOA
SCHEMBL1412788 0.58 PPARG (0.37) BCHEMAOA

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-115353497-A Synthetic method of 2- (2-benzothiazole) substituted ethanol ether compound 浙江药科职业大学 2022-11-18 — — CN disclosed
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