SCHEMBL13812664

SCHEMBL13812664

O=C(NCCc1ccccc1Oc1ccccc1)c1cc(Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.53
▸ CDK1 P06493 1/20 0.52
▸ THRB P10828 2/20 0.52
▸ THRA P10827 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ SNCA P37840 2/20 0.48
▸ TMPRSS4 Q9NRS4 1/20 0.48
▸ PTGDR2 Q9Y5Y4 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ P2RX1 P51575 1/20 0.45

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
SCHEMBL13812667 0.84 PTGS1 (0.56) PTGS1TDP1CDK1THRBTHRA
SCHEMBL13812600 0.84 LTA4H (0.61) PTGS1TDP1CDK1THRBTHRA
SCHEMBL13812636 0.82 THRB (0.59) PTGS1TDP1CDK1THRBTHRA
SCHEMBL6357721 0.78 ALDH1A1 (0.66) TDP1ALDH1A1L3MBTL1GAAHTT
SCHEMBL3859317 0.76 TUBB (0.65) TDP1THRBTHRAALDH1A1L3MBTL1
SCHEMBL13812638 0.76 NPC1 (0.54) PTGS1TDP1CDK1THRBTHRA
SCHEMBL6361572 0.75 ALDH1A1 (0.66) TDP1THRBALDH1A1L3MBTL1GAA
SCHEMBL13812693 0.75 THRB (0.53) PTGS1TDP1CDK1THRBTHRA
SCHEMBL13812615 0.74 TUBB (0.59) THRBTHRAALDH1A1L3MBTL1GAA
SCHEMBL11471586 0.74 FFAR1 (0.60) ALDH1A1L3MBTL1GAAHTTHPGD

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
Send feedback