SCHEMBL8946459

SCHEMBL8946459

Cc1cc2c(c(C)c1O)C[C@H]1c3cc(C(C)C)ccc3N[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KIF11 P52732 1/20 0.39
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 2/20 0.34
TRPA1 O75762 1/20 0.34
CACNA1C Q13936 1/20 0.34
PTGS2 P35354 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 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
SCHEMBL8946463 1.00 HPGD (0.49) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946466 1.00 HPGD (0.49) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946482 0.84 HPGD (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946962 0.84 HPGD (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946958 0.84 HPGD (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL9844735 0.82 KDM4E (0.45) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946338 0.81 AURKA (0.41) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946332 0.81 AURKA (0.41) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946327 0.81 AURKA (0.41) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946343 0.72 HPGD (0.78) 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 5 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
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed