SCHEMBL8351605

SCHEMBL8351605

COC(=CC=Cc1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCNC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.69
ATP6AP1 Q15904 1/20 0.58
CXCR4 P61073 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8343617 0.82 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1ALDH1A1KDM4EGAA
SCHEMBL8343620 0.82 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1ALDH1A1KDM4EGAA
SCHEMBL6292835 0.81 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1ALDH1A1KDM4EALOX15
SCHEMBL6291928 0.79 ATP6V1B1 (0.66) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL8344269 0.79 ATP6V1B1 (0.77) ATP6V1B1ATP6AP1
SCHEMBL6295636 0.78 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1ALDH1A1KDM4EGAA
SCHEMBL6295637 0.78 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1ALDH1A1KDM4EGAA
SCHEMBL6292599 0.76 ATP6V1B1 (0.66) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL6292600 0.76 ATP6V1B1 (0.66) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL6292859 0.76 ATP6V1B1 (0.76) ATP6V1B1ATP6AP1GAAALOX15HSD17B10

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
US-5981525-A FOR THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS,TUMOURS, ULCERS, AUTOIMMUNE DISEASES, LIPIDEMIC DISORDERS, HYPERCHOLESTEROLEMIC AND ATHEROSCLEROTIC DISEASES, AIDS ALZHEIMER'S DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed