SCHEMBL748197

SCHEMBL748197

CC(C)(C)c1ccc(CN(CCc2ccc(F)c(F)c2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
HIF1A Q16665 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
DHODH Q02127 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL750906 0.92 TP53 (0.39) SRCMAPTTP53SLC13A5HIF1A
SCHEMBL748502 0.89 DHODH (0.33) MAPTKCNH2TRPV1DHODHALDH1A1
SCHEMBL745530 0.89 HDAC1 (0.41) SRCTMEM97SIGMAR1SLC13A5HDAC1
Hydrochloric Acid SCHEMBL748627 0.89 DHODH (0.33) MAPTKCNH2TRPV1DHODHALDH1A1
SCHEMBL750950 0.89 SRC (0.36) SRCMAPTTP53TMEM97SIGMAR1
SCHEMBL750133 0.89 SRC (0.36) SRCMAPTTP53KCNH2SIGMAR1
SCHEMBL748241 0.89 LPAR1 (0.36) SRCMAPTTP53SLC13A5ALDH1A1
SCHEMBL749647 0.89 LMNA (0.39) MAPTKCNH2TMEM97SIGMAR1DHODH
SCHEMBL751093 0.89 CETP (0.39) SRCSLC13A5PTGDR2
SCHEMBL747722 0.88 ESRRG (0.41) SRCMAPTTP53SLC13A5RXRA

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
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed