SCHEMBL7058049

SCHEMBL7058049

COC(=O)C1CC(=O)N(CI)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14990930 0.86 BRD4 (0.69) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL12667147 0.85 BRD4 (0.62) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL3140082 0.85 BRD4 (0.62) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL12667145 0.85 BRD4 (0.62) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL15042048 0.83 BRD4 (0.70) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL15042072 0.82 BRD4 (0.63) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL11997296 0.82 BRD4 (0.63) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL16007875 0.82 BRD4 (0.58) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL15043141 0.82 BRD4 (0.58) BRD4HPGDALDH1A1GAAPOLB
SCHEMBL15042060 0.82 BRD4 (0.68) BRD4HPGDALDH1A1GAAPOLB

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
US-20220233481-A1 METHODS OF REDUCING SYMPTOMS OF OPIOID WITHDRAWAL SYNDROME AND RISK OF RELAPSE TO DRUG SEEKING UTI LIMITED PARTNERSHIP (CA) 2022-07-28 US disclosed
US-20030129241-A1 Compositions and methods for amelioration of human female sexual dysfunction NEXMED (HOLDINGS), INC. 2003-07-10 US disclosed