SCHEMBL748509

SCHEMBL748509

COc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.43
LPAR5 Q9H1C0 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
TMEM97 Q5BJF2 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LPAR3 Q9UBY5 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC2A1 P11166 1/20 0.36
ESRRG P62508 1/20 0.35

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
SCHEMBL745473 0.91 KMT2A (0.44) LPAR1LPAR5TMEM97KMT2AMEN1
SCHEMBL749104 0.91 SLC13A5 (0.35) LPAR1LPAR5TDP1KMT2AMEN1
SCHEMBL748461 0.90 ESRRG (0.46) KMT2AMEN1SLC13A5LMNATP53
SCHEMBL746610 0.89 TP53 (0.42) LPAR1LPAR5KMT2AMEN1SLC13A5
SCHEMBL747114 0.89 C5AR1 (0.41) LPAR1LPAR5TMEM97KMT2AMEN1
SCHEMBL747130 0.89 SLC13A5 (0.37) LPAR1LPAR5KMT2AMEN1SLC13A5
SCHEMBL746652 0.89 F2 (0.44) LPAR1TMEM97KMT2AMEN1LMNA
SCHEMBL749993 0.87 LPAR1 (0.39) LPAR1LPAR5TDP1KMT2AMEN1
SCHEMBL748533 0.87 ESRRG (0.37) TDP1KMT2ASLC13A5LMNATP53
SCHEMBL748724 0.87 F10 (0.40) KMT2AMEN1SLC13A5

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