SCHEMBL8708588

SCHEMBL8708588

COC1CCN(c2c(C)c(=O)oc3cc(O)c(O)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
CCR4 P51679 10/20 0.42
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD17B3 P37058 1/20 0.38
MEN1 O00255 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
EED O75530 1/20 0.38
ALOX5 P09917 1/20 0.38
G6PD P11413 1/20 0.38
CBR1 P16152 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL27617272 0.71 HSD17B3 (0.61) MAOBTHRBKDM4EALDH1A1CYP3A4
SCHEMBL8708592 0.71 KMT2A (0.64) KDM4EALDH1A1HPGDMCL1HSD17B10
SCHEMBL8807724 0.64 MAOB (0.60) MAOBKDM4EALDH1A1CYP3A4AKR1B1
SCHEMBL15068641 0.61 MAPT (0.46) MAOACCR4KDM4EALDH1A1HSD17B10
SCHEMBL7983695 0.61 PKLR (0.69) MAOATHRBKDM4EALDH1A1CYP3A4
SCHEMBL7795084 0.61 GPR35 (0.54) THRBKDM4EALDH1A1CYP3A4AKR1B1
SCHEMBL8196371 0.61 CELA1 (0.48) MAOBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5433313 0.61 MCL1 (0.54) MAOBTHRBKDM4EALDH1A1CYP3A4
SCHEMBL11039464 0.61 MAOB (0.47) MAOBTHRBKDM4EALDH1A1CYP3A4
SCHEMBL9211053 0.60 MCL1 (0.63) MAOBTHRBKDM4EALDH1A1CYP3A4

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 1 patent. 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