SCHEMBL9800916

SCHEMBL9800916

CCCCCCCCCCCCCCNC(=S)Nc1c(CC)cccc1CC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 5/20 0.51
ALOX12 P18054 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.48
EPHX1 P07099 3/20 0.47

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
SCHEMBL19426821 0.86 MAPT (0.51) MAPTALDH1A1GAAPKMHTT
SCHEMBL11140712 0.85 MAPT (0.45) MAPTALDH1A1GAAPKMHTT
SCHEMBL9800922 0.83 EPHX1 (0.63) ALDH1A1HTTPOLBEPHX1
SCHEMBL9800905 0.83 EPHX1 (0.63) ALDH1A1HTTPOLBEPHX1
SCHEMBL11541523 0.80 ALDH1A1 (0.57) MAPTALDH1A1GAAPKMHTT
SCHEMBL11420471 0.80 POLB (0.46) MAPTALDH1A1GAAPKMHTT
SCHEMBL30013382 0.80 HTT (0.63) MAPTALDH1A1GAAPKMHTT
SCHEMBL9800926 0.79 SOAT1 (0.66)
SCHEMBL11417791 0.77 POLB (0.48) MAPTALDH1A1GAAPKMHTT
SCHEMBL21292015 0.76 LMNA (0.56) MAPTALDH1A1GAAPKMHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP claimed
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP disclosed
EP-0297610-A1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1989-01-04 EP disclosed