SCHEMBL8708592

SCHEMBL8708592

COC1CCN(Cc2cc(=O)oc3cc(O)c(O)cc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 6/20 0.64
ERAP1 Q9NZ08 1/20 0.64
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 3/20 0.59
CASP1 P29466 3/20 0.59
CASP7 P55210 3/20 0.59
HSD17B10 Q99714 3/20 0.59
GAA P10253 3/20 0.59
POLB P06746 3/20 0.59
GLA P06280 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MCL1 Q07820 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8706665 0.86 KMT2A (0.57) KMT2AMEN1ERAP1ALDH1A1KDM4E
SCHEMBL8808673 0.84 KMT2A (0.55) KMT2AMEN1ERAP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8702857 0.82 KMT2A (0.52) KMT2AMEN1ERAP1ALDH1A1KDM4E
Folescutol SCHEMBL554577 0.80 TDP1 (0.81) KMT2AMEN1ERAP1ALDH1A1KDM4E
SCHEMBL6833560 0.71 MCL1 (0.74) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8708588 0.71 MAOA (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL15836637 0.71 KMT2A (1.00) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL15836700 0.70 GAA (0.75) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5433316 0.69 KDM4E (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8706801 0.68 MCL1 (1.00) KMT2AMEN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716983-A ADMINISTERING PHOSPHOLIPASE INHIBITOR FOR TREATMENT OF INFLAMMATORY DISEASES, ALLERGIES, INJURIES, CARDIOVASCULAR DISORDERS, AUTOIMMUNE DISORDERS OR TRANSPLANT REJECTION BOEHRINGER MANNHEIM GMBH (DE) 1998-02-10 US claimed
EP-0708766-B1 USE OF COUMARINS AS PLA 2-INHIBITORS, NEW COUMARINS, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-10 EP claimed