SCHEMBL746652

SCHEMBL746652

COc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2cccc3c2NCCC3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
TMEM97 Q5BJF2 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LPAR1 Q92633 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMPD1 P17405 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL748509 0.89 LPAR1 (0.43) TMEM97MEN1KMT2ALPAR1L3MBTL1
SCHEMBL749647 0.88 LMNA (0.39) TMEM97ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL745473 0.87 KMT2A (0.44) TMEM97MEN1KMT2ALPAR1CRHBP
SCHEMBL748780 0.86 TP53 (0.35) F2F10F7ALDH1A1MEN1
SCHEMBL748724 0.86 F10 (0.40) F2F10F7MEN1KMT2A
SCHEMBL745501 0.86 TMEM97 (0.39) TMEM97ALDH1A1KMT2ACRHBPCRHR2
SCHEMBL748523 0.86 LPAR1 (0.38) KMT2ALPAR1CRHBPCRHR2
SCHEMBL748461 0.86 ESRRG (0.46) MEN1KMT2ACRHBPCRHR2LMNA
Hydrochloric Acid SCHEMBL752637 0.86 TMEM97 (0.38) TMEM97ALDH1A1KMT2ACRHBPCRHR2
SCHEMBL747130 0.85 SLC13A5 (0.37) MEN1KMT2ALPAR1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed