SCHEMBL20868894

SCHEMBL20868894

COC(=O)[C@H]1CC[C@H](CNC(C)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.34
GNRHR P30968 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL6026422 0.80
SCHEMBL14175234 0.79 KMT2A (0.42) TP53ALDH1A1GAAKMT2AMEN1
SCHEMBL9640173 0.79 KMT2A (0.42) TP53ALDH1A1GAAKMT2AMEN1
SCHEMBL8256660 0.78 KMT2A (0.41) TP53ALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL9640166 0.78 KMT2A (0.41) TP53ALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL9640179 0.78 KMT2A (0.41) TP53ALDH1A1GAAKMT2AMEN1
SCHEMBL17690489 0.78 KMT2A (0.41) TP53ALDH1A1GAAKMT2AMEN1
SCHEMBL14844411 0.78 TP53 (0.41) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL5520352 0.78 TP53 (0.41) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL3577321 0.78 SAT1 (0.46) TP53ALDH1A1GAAKMT2AMEN1

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-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed