SCHEMBL8946633

SCHEMBL8946633

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GFER P55789 1/20 0.39
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
BCHE P06276 1/20 0.36
CHRM5 P08912 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8946641 1.00 HPGD (0.39) HPGDMAPK1KDM4EALDH1A1LMNA
SCHEMBL8946630 1.00 HPGD (0.39) HPGDMAPK1KDM4EALDH1A1LMNA
SCHEMBL8946483 0.81 CYP3A4 (0.46) MAPK1HSD17B10CYP3A4MEN1CYP2D6
SCHEMBL8946475 0.81 CYP3A4 (0.46) MAPK1HSD17B10CYP3A4MEN1CYP2D6
SCHEMBL8946490 0.81 CYP3A4 (0.46) MAPK1HSD17B10CYP3A4MEN1CYP2D6
SCHEMBL8946377 0.80 CYP3A4 (0.36) MAPK1HSD17B10CYP3A4MEN1CYP2D6
SCHEMBL8946590 0.80 CYP3A4 (0.36) MAPK1HSD17B10CYP3A4MEN1CYP2D6
SCHEMBL8946596 0.80 CYP3A4 (0.36) MAPK1HSD17B10CYP3A4MEN1CYP2D6
SCHEMBL9844735 0.77 KDM4E (0.45) HPGDMAPK1KDM4EALDH1A1LMNA
SCHEMBL8946323 0.70 CYP3A4 (0.35) MAPK1ALDH1A1HSD17B10CYP3A4MEN1

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 4 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
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed