SCHEMBL11533725

SCHEMBL11533725

CCCCCCCOC(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.52
THRB P10828 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LPAR1 Q92633 6/20 0.39
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL568430 1.00 DNM1 (0.52) DNM1THRBTSHRMEN1HTT
SCHEMBL8467889 0.97
SCHEMBL2108013 0.89
SCHEMBL11691580 0.82 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL11788485 0.82 DNM1 (0.50) DNM1THRBTSHRMEN1HTT
SCHEMBL9627846 0.81 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL9714692 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL9714750 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
Ammonia Solution, Strong SCHEMBL8616329 0.80 DNM1 (0.48) DNM1THRBTSHRMEN1HTT
SCHEMBL27462497 0.79

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169147-A Novel transient pro-drug forms of phenylbutazone and oxyphenbutazone in compositions and methods of use INTERX RESEARCH CORPORATION (US) 1979-09-25 US disclosed
US-4139709-A 1,2-Diphenyl-3,5-ditrifluoroacetyloxy-4-butyl-5-hydroxy-3-pyrazoline INTERX RESEARCH CORPORATION (US) 1979-02-13 US disclosed
US-4117232-A TRANSIENT PRO-DRUG FORMS OF PHENYLBUTAZONE INTERX RESEARCH CORPORATION (US) 1978-09-26 US disclosed
US-4036845-A Novel transient acyl derivatives of phenylbutazone INTERX RESEARCH CORPORATION (US) 1977-07-19 US disclosed
US-3957803-A CERTAIN TRANSIENT PRO-DRUG FORMS OF PHENYLBUTAZONE INTERX RESEARCH CORPORATION (US) 1976-05-18 US disclosed