SCHEMBL748502

SCHEMBL748502

CC(C)(C)c1ccc(CN(CCc2ccc(F)c(F)c2)C(=O)Oc2cc(Cl)cc3c2NCCC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
REN P00797 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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 SCHEMBL748627 0.99 DHODH (0.33) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL746629 0.95 WDR5 (0.33) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL749615 0.93 MAPT (0.35) DHODHALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL747204 0.92 MAPT (0.35) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL751895 0.91 DHODH (0.33) DHODHALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL750002 0.90 DHODH (0.33) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL748197 0.89 SRC (0.36) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL746728 0.89 DHODH (0.36) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL748640 0.86 TACR3 (0.32) DHODHALDH1A1LMNAMAPTHPGD
SCHEMBL746591 0.86 PARP1 (0.33) ALDH1A1MAPTMAPK14PSEN1PSEN2

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