SCHEMBL6501573

SCHEMBL6501573

CCCC(=O)c1ccc(-c2ccc(CCCCCC(COC(C)=O)(COC(C)=O)NC(C)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.44
THRB P10828 11/20 0.44
RARB P10826 6/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL6506833 0.93 THRA (0.46) THRATHRBRARBMEN1ALDH1A1
SCHEMBL6502423 0.89 RARB (0.45) THRATHRBRARBMEN1ALDH1A1
SCHEMBL6508362 0.89 RARB (0.48) THRATHRBRARBMEN1ALDH1A1
SCHEMBL5402713 0.86 THRA (0.42) THRATHRBRARBMEN1ALDH1A1
SCHEMBL8498944 0.85 TNNC1 (0.45) THRATHRBRARBMEN1ALDH1A1
SCHEMBL8499405 0.85 TNNC1 (0.42) THRATHRBMEN1ALDH1A1MAPT
SCHEMBL8496902 0.85 TNNC1 (0.45) THRATHRBRARBMEN1ALDH1A1
SCHEMBL8499864 0.85 TNNC1 (0.45) THRATHRBRARBMEN1ALDH1A1
SCHEMBL5403214 0.85 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8499606 0.84 POLB (0.42) THRATHRBRARBMEN1ALDH1A1

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed