SCHEMBL6545566

SCHEMBL6545566

Cc1cc(=O)oc2c(C)c3occc3cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
ALDH1A1 P00352 6/20 0.62
MAOA P21397 4/20 0.62
CYP3A4 P08684 4/20 0.62
MAPK1 P28482 4/20 0.62
CYP1A2 P05177 3/20 0.62
HTR2C P28335 1/20 0.62
ADORA2A P29274 1/20 0.62
MAOB P27338 2/20 0.55
HSD17B10 Q99714 5/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
MGAM O43451 1/20 0.47
TP53 P04637 1/20 0.47
SI P14410 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL11309620 0.83 KDM4E (0.50) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL11555252 0.82 CYP3A4 (0.65) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL11319802 0.82 KDM4E (0.48) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL11316334 0.81 MCL1 (0.45) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL6993046 0.81 MCL1 (0.45) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL10336302 0.80 MAPK1 (0.46) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL11308343 0.80 KDM4E (0.62) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL10405325 0.80 MCL1 (0.44) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL11308490 0.79 MCL1 (0.46) KDM4EALDH1A1MAOACYP3A4MAPK1
SCHEMBL8416177 0.78 CYP3A4 (0.64) KDM4EALDH1A1MAOACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579784-B1 METHOD FOR PREVENTING RESTENOSIS FOLLOWING RECONFIGURATION OF BODY VESSELS ADVANCED RES & TECH INST (US) 1999-11-10 EP claimed
EP-1377274-A2 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS QLT Inc. (CA) 2004-01-07 EP disclosed
WO-2002083097-A2 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS QLT INC. (CA) 2002-10-24 WO disclosed
US-5473083-A Skin disorders, cancer, Aids LEHIGH UNIVERSITY (US) 1995-12-05 US disclosed
US-5356929-A Skin, blood and bone marrow disorders LEHIGH UNIVERSITY (US) 1994-10-18 US disclosed
US-4294847-A 8-Aminoalkyl-4-alkylisopsoralens THOMAS C. ELDER, INC. (US) 1981-10-13 US disclosed
US-4269851-A 8-Aminoalkyl-4-alkylpsoralens THOMAS C. ELDER, INC. (US) 1981-05-26 US disclosed