SCHEMBL749647

SCHEMBL749647

COc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)Oc2cccc3c2NCCC3)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMPD1 P17405 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL749993 0.91 LPAR1 (0.39) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL745530 0.89 HDAC1 (0.41) TMEM97SIGMAR1MEN1KMT2ANPC1
SCHEMBL748197 0.89 SRC (0.36) LMNAALDH1A1KCNH2TMEM97SIGMAR1
SCHEMBL750133 0.89 SRC (0.36) LMNAKCNH2SIGMAR1MEN1KMT2A
SCHEMBL750950 0.89 SRC (0.36) LMNAALDH1A1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL750906 0.88 TP53 (0.39) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL747722 0.88 ESRRG (0.41) LMNAALDH1A1SMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL751875 0.88 SRC (0.36) LMNAALDH1A1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL746652 0.88 F2 (0.44) LMNAALDH1A1TMEM97SMN1; SMN2GAA
SCHEMBL751065 0.87 SRC (0.38) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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