SCHEMBL749615

SCHEMBL749615

CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)Oc2cc(Cl)cc3c2NCCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
DHODH Q02127 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CCR3 P51677 1/20 0.33
BCL2 P10415 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 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 SCHEMBL747204 0.99 MAPT (0.35) MAPTTP53SMN1; SMN2LMNADHODH
SCHEMBL748502 0.93 DHODH (0.33) MAPTSMN1; SMN2LMNADHODHALDH1A1
SCHEMBL748805 0.93 MAPT (0.36) MAPTTP53SMN1; SMN2LMNADHODH
Hydrochloric Acid SCHEMBL748627 0.92 DHODH (0.33) MAPTSMN1; SMN2LMNADHODHALDH1A1
SCHEMBL746629 0.91 WDR5 (0.33) MAPTTP53SMN1; SMN2LMNADHODH
SCHEMBL750907 0.91 MAPT (0.35) MAPTTP53SMN1; SMN2LMNADHODH
SCHEMBL751895 0.90 DHODH (0.33) MAPTTP53SMN1; SMN2LMNADHODH
Hydrochloric Acid SCHEMBL750002 0.89 DHODH (0.33) MAPTTP53SMN1; SMN2LMNADHODH
SCHEMBL746728 0.89 DHODH (0.36) MAPTSMN1; SMN2LMNADHODHALDH1A1
SCHEMBL750906 0.88 TP53 (0.39) MAPTTP53SMN1; SMN2LMNAMEN1

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