SCHEMBL749988

SCHEMBL749988

COc1cc2c(c(C(=O)N(CCc3ccc(F)cc3)Cc3ccc(C(C)(C)C)cc3)c1)NCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
SLC2A4 P14672 2/20 0.37
SLC2A8 Q9NY64 1/20 0.37
LPAR1 Q92633 5/20 0.36
LPAR5 Q9H1C0 3/20 0.36
LPAR3 Q9UBY5 1/20 0.35
SLC2A1 P11166 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESRRG P62508 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL747946 0.91 TP53 (0.40) MAPTTP53CRHBPCRHR2MEN1
SCHEMBL748282 0.89 TP53 (0.39) MAPTTP53SLC2A4SLC2A8LPAR1
SCHEMBL747155 0.88 TP53 (0.38) MAPTTP53SLC2A1MEN1KMT2A
SCHEMBL745478 0.88 TP53 (0.38) MAPTTP53LPAR1LPAR5MEN1
Hydrochloric Acid SCHEMBL748268 0.87 TP53 (0.38) MAPTTP53SLC2A1MEN1KMT2A
SCHEMBL746563 0.86 LPAR1 (0.35) MAPTLPAR1LPAR5LPAR3CRHBP
SCHEMBL746610 0.85 TP53 (0.42) MAPTTP53LPAR1LPAR5CRHBP
SCHEMBL2385782 0.85 TP53 (0.38) MAPTTP53CRHBPCRHR2MEN1
SCHEMBL748509 0.84 LPAR1 (0.43) MAPTTP53LPAR1LPAR5LPAR3
SCHEMBL746554 0.82 TP53 (0.34) MAPTTP53ESRRG

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
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