SCHEMBL4741793

SCHEMBL4741793

O=C1CCCC(C2CCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.34
ESR2 Q92731 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1244592 0.95 ALDH1A1 (0.42) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL14441603 0.95 TRIM24 (0.42) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL13334321 0.92 ALDH1A1 (0.41) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL3438361 0.92 ALDH1A1 (0.41) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL4866556 0.92 ALDH1A1 (0.41) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL10514312 0.90 TRIM24 (0.41) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL16512839 0.90 ALDH1A1 (0.35) MAPTTRIM24TRIM33ALDH1A1MAPK1
SCHEMBL11593525 0.90 ALDH1A1 (0.35) MAPTTRIM24TRIM33ALDH1A1MAPK1
SCHEMBL11330899 0.87 TRIM24 (0.48) MAPTTRIM24TRIM33THRBALDH1A1
SCHEMBL29989395 0.86 TRIM24 (0.53) MAPTTRIM24TRIM33THRBALDH1A1

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-2008089010-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-07-24 WO disclosed