SCHEMBL22302000

SCHEMBL22302000

CC(C)(O)C(C)(C)OBc1cc(Cl)c2c(c1)sc1c3ccccc3ccc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.36
CYP1B1 Q16678 4/20 0.36
CYP1A2 P05177 2/20 0.34
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22302756 0.87 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2MAPTL3MBTL1
SCHEMBL22302750 0.85
SCHEMBL22302590 0.84
SCHEMBL22310467 0.83 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2
SCHEMBL22310487 0.82 CYP1A1 (0.33) CYP1A1CYP1B1CYP1A2
SCHEMBL19543966 0.82 CYP1A1 (0.32) CYP1A1CYP1B1CYP1A2MAPTL3MBTL1
SCHEMBL22302745 0.81 CYP1A1 (0.35) CYP1A1CYP1B1CYP1A2
SCHEMBL22301515 0.81 CYP1A1 (0.35) CYP1A1CYP1B1CYP1A2
SCHEMBL22303320 0.80 CYP1A1 (0.32) CYP1A1CYP1B1CYP1A2
SCHEMBL22302738 0.79 APEX1 (0.35) MAPTL3MBTL1

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
WO-2020159336-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2020-08-06 WO disclosed