SCHEMBL9286206

SCHEMBL9286206

C[C@H]1C[C@@](Cl)(c2cccc(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 4/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 3/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
PKM P14618 4/20 0.32
LMNA P02545 2/20 0.32
ALOX5 P09917 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL9285981 1.00 TRIM24 (0.37) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL9285989 1.00 TRIM24 (0.37) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL9285980 1.00 TRIM24 (0.37) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL2107553 0.88 TRIM24 (0.36) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL9230759 0.86 ALOX5 (0.41) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL9274972 0.83 ALOX5 (0.43) TRIM24BRD4CREBBPPDE3BPDE3A
SCHEMBL2108075 0.79 TRIM24 (0.36) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL9098432 0.77 ALOX5 (0.42) TRIM24ALDH1A1GAABRD4CREBBP
SCHEMBL8556514 0.77 ATAD2 (0.39) ALDH1A1GAACYP11B2CYP11B1CYP1A2
SCHEMBL2108940 0.76 TRIM24 (0.36) TRIM24ALDH1A1GAABRD4CREBBP

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
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO claimed