SCHEMBL8946416

SCHEMBL8946416

CC(C)c1ccc2c(c1)[C@@]1(C)Cc3ccccc3[C@@]1(C)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
XBP1 P17861 1/20 0.34
MDM2 Q00987 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KIF11 P52732 2/20 0.31
AKR1B1 P15121 2/20 0.31

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
SCHEMBL8946411 1.00 HPGD (0.44) HPGDGFERHSD17B10PDK2ALDH1A1
SCHEMBL8946424 1.00 HPGD (0.44) HPGDGFERHSD17B10PDK2ALDH1A1
SCHEMBL8946536 0.82 CYP1A2 (0.33) HPGDHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL8946532 0.82 CYP1A2 (0.33) HPGDHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL8946527 0.82 CYP1A2 (0.33) HPGDHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL8946458 0.81 ADRA2A (0.37) PDK2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8946404 0.81 ADRA2A (0.37) PDK2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL8946453 0.81 ADRA2A (0.37) PDK2ADRA2AADRA2BADRA2CADRA1B
SCHEMBL26088084 0.69 HPGD (0.41) HPGDGFERHSD17B10PDK2ALDH1A1
SCHEMBL8946432 0.67 KMT2A (0.33) PDK2KMT2AADRA2AADRA2BADRA2C

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
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 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