SCHEMBL746728

SCHEMBL746728

COc1cc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)Oc2cc(Cl)cc3c2NCCC3)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 4/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CETP P11597 1/20 0.32
CNR1 P21554 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 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
SCHEMBL749615 0.89 MAPT (0.35) DHODHHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL751895 0.89 DHODH (0.33) DHODHHTTSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL747204 0.89 MAPT (0.35) DHODHHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL748502 0.89 DHODH (0.33) DHODHHTTSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL750002 0.89 DHODH (0.33) DHODHHTTSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL748627 0.88 DHODH (0.33) DHODHHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL746563 0.88 LPAR1 (0.35) DHODHHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL746629 0.87 WDR5 (0.33) DHODHHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL747960 0.82 CDK8 (0.32) DHODHHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL749660 0.82 SLC2A1 (0.35) LPAR1LPAR5

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