SCHEMBL3260741

SCHEMBL3260741

O=C(O)CCOc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RXRA P19793 10/20 0.42
RXRB P28702 9/20 0.42
RXRG P48443 7/20 0.42
ALDH1A1 P00352 1/20 0.42
MCL1 Q07820 1/20 0.42
TBXA2R P21731 2/20 0.41
MMP2 P08253 1/20 0.40
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL26983245 0.89 TBXA2R (0.46) LMNAALDH1A1TBXA2RPPARA
SCHEMBL11442711 0.80 L3MBTL1 (0.57) LMNAL3MBTL1ALDH1A1MMP2PPARA
SCHEMBL4453201 0.79 RXRA (0.45) LMNAL3MBTL1RXRARXRBRXRG
SCHEMBL1280673 0.77 ALOX15 (0.52) LMNAL3MBTL1ALDH1A1
SCHEMBL5517724 0.76 LMNA (0.50) LMNAL3MBTL1ALDH1A1TBXA2R
SCHEMBL28905370 0.72 L3MBTL1 (0.49) LMNAL3MBTL1RXRARXRBRXRG
SCHEMBL5513972 0.72 LMNA (0.54) LMNAL3MBTL1ALDH1A1TBXA2R
SCHEMBL21500720 0.72 LTA4H (0.54) LMNAL3MBTL1ALDH1A1TBXA2R
SCHEMBL15547011 0.72 HDAC8 (0.35) LMNAALDH1A1
SCHEMBL5422564 0.72 ALDH1A1 (0.46) L3MBTL1ALDH1A1

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
US-20100022568-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR EARLY STAGE IDIOPATHIC PULMONARY FIBROSIS Actelion Pharmaceeuticals Ltd. (CH) 2010-01-28 US disclosed