SCHEMBL18171976

SCHEMBL18171976

CNC(C)C(OC(=O)c1ccccc1OC(C)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.52
KDM4E B2RXH2 4/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
HPGD P15428 5/20 0.50
PTGS2 P35354 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL14771649 1.00 HSD17B10 (0.52) HSD17B10KDM4ECYP2C9LMNACYP1A2
SCHEMBL14771613 0.82 ALDH1A1 (0.47) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL14771609 0.82 ALDH1A1 (0.47) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL14771671 0.81 SMN1; SMN2 (0.45) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL14771596 0.81 LMNA (0.50) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL668289 0.81 LMNA (0.50) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL14771678 0.81 SMN1; SMN2 (0.45) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL4650189 0.80 ALDH1A1 (0.51) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL14771667 0.80 ALDH1A1 (0.51) HSD17B10KDM4ECYP2C9LMNAHPGD
SCHEMBL14771663 0.80 ALDH1A1 (0.51) HSD17B10KDM4ECYP2C9LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3346991-A1 PROTECTING ORAL OVERDOSE WITH ABUSE DETERRENT IMMEDIATE RELEASE FORMULATIONS Grünenthal GmbH (DE) 2018-07-18 EP disclosed
EP-3285747-A1 TAMPER-RESISTANT FIXED DOSE COMBINATION PROVIDING FAST RELEASE OF TWO DRUGS FROM PARTICLES Grünenthal GmbH (DE) 2018-02-28 EP disclosed
EP-3285748-A1 TAMPER-RESISTANT FIXED DOSE COMBINATION PROVIDING FAST RELEASE OF TWO DRUGS FROM DIFFERENT PARTICLES Grünenthal GmbH (DE) 2018-02-28 EP disclosed
EP-3285746-A1 TAMPER-RESISTANT FIXED DOSE COMBINATION PROVIDING FAST RELEASE OF TWO DRUGS FROM PARTICLES AND A POWDER Grünenthal GmbH (DE) 2018-02-28 EP disclosed
WO-2017042325-A1 PROTECTING ORAL OVERDOSE WITH ABUSE DETERRENT IMMEDIATE RELEASE FORMULATIONS Grünenthal GmbH (DE) 2017-03-16 WO disclosed
WO-2016170095-A1 TAMPER-RESISTANT FIXED DOSE COMBINATION PROVIDING FAST RELEASE OF TWO DRUGS FROM PARTICLES AND A POWDER Grünenthal GmbH (DE) 2016-10-27 WO disclosed
WO-2016170094-A1 TAMPER-RESISTANT FIXED DOSE COMBINATION PROVIDING FAST RELEASE OF TWO DRUGS FROM PARTICLES Grünenthal GmbH (DE) 2016-10-27 WO disclosed
WO-2016170096-A1 TAMPER-RESISTANT FIXED DOSE COMBINATION PROVIDING FAST RELEASE OF TWO DRUGS FROM DIFFERENT PARTICLES Grünenthal GmbH (DE) 2016-10-27 WO disclosed