SCHEMBL9800938

SCHEMBL9800938

CCCCCCCCC=CCCCCCCCCNC(=S)Nc1c(C)cccc1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL9800937 1.00 EPHX2 (0.51) EPHX2ALDH1A1LMNAHTTMAPK1
SCHEMBL21292015 0.86 LMNA (0.56) ALDH1A1LMNAHTTMAPK1GAA
SCHEMBL19420682 0.86 ALDH1A1 (0.58) ALDH1A1LMNAHTTMAPK1GAA
SCHEMBL20026965 0.84 ALDH1A1 (0.60) ALDH1A1LMNAHTTMAPK1GAA
SCHEMBL9800913 0.84 EPHX2 (0.55) EPHX2ALDH1A1HTT
SCHEMBL9800918 0.84 EPHX2 (0.55) EPHX2ALDH1A1HTT
SCHEMBL22598037 0.81 KMT2A (0.63) EPHX2ALDH1A1LMNAHTTGAA
SCHEMBL22598038 0.81 KMT2A (0.63) EPHX2ALDH1A1LMNAHTTGAA
SCHEMBL23505645 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHTTMAPK1GAA
SCHEMBL9678655 0.78 GAA (0.50) EPHX2ALDH1A1LMNAHTTMAPK1

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 2 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 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