SCHEMBL750950

SCHEMBL750950

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
TMEM97 Q5BJF2 1/20 0.34
SLC13A5 Q86YT5 1/20 0.33
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
SSTR4 P31391 1/20 0.32
HIF1A Q16665 1/20 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
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
TP53 P04637 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
Hydrochloric Acid SCHEMBL751875 0.99 SRC (0.36) SRCTMEM97SLC13A5CDK8CLK4
SCHEMBL749103 0.91 SRC (0.38) SRCSLC13A5CDK8CLK4HDAC1
SCHEMBL751895 0.90 DHODH (0.33) CDK8CLK4TRPV1DHODHNR1H4
SCHEMBL746739 0.90 SRC (0.37) SRCSLC13A5HIF1ATRPV1HDAC1
SCHEMBL747960 0.89 CDK8 (0.32) CDK8CLK4TRPV1DHODHNR1H4
Hydrochloric Acid SCHEMBL750002 0.89 DHODH (0.33) CDK8CLK4TRPV1DHODHNR1H4
SCHEMBL745530 0.89 HDAC1 (0.41) SRCTMEM97SLC13A5HDAC1HDAC6
SCHEMBL748640 0.89 TACR3 (0.32) TMEM97CDK8CLK4TRPV1DHODH
Hydrochloric Acid SCHEMBL748195 0.89 CDK8 (0.32) CDK8CLK4TRPV1DHODHNR1H4
SCHEMBL750133 0.89 SRC (0.36) SRCSLC13A5HIF1AHDAC1HDAC6

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