SCHEMBL8946958

SCHEMBL8946958

COc1c(C)cc2c(c1C)C[C@H]1c3cc(C(C)C)ccc3N[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KIF11 P52732 1/20 0.38
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8946482 1.00 HPGD (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946962 1.00 HPGD (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946573 0.85 MAPT (0.37) HPGDALDH1A1LMNAMAPTHTT
SCHEMBL8946568 0.85 MAPT (0.37) HPGDALDH1A1LMNAMAPTHTT
SCHEMBL8946565 0.85 MAPT (0.37) HPGDALDH1A1LMNAMAPTHTT
SCHEMBL8946466 0.84 HPGD (0.49) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946459 0.84 HPGD (0.49) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946463 0.84 HPGD (0.49) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946422 0.82 AURKA (0.42) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946430 0.82 AURKA (0.42) HPGDKDM4EALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed