SCHEMBL29951428

SCHEMBL29951428

CC(C)Oc1cccc(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.60
SRC P12931 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SIRT1 Q96EB6 1/20 0.50
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
NPC1 O15118 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD1 P21728 1/20 0.46

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
SCHEMBL599867 1.00 ALDH1A3 (0.60) ALDH1A3SRCPOLBALDH1A1SIRT1
SCHEMBL10990952 0.87 NPC1 (0.50) ALDH1A3SRCPOLBALDH1A1MAOA
SCHEMBL9059708 0.85 MAOA (0.54) ALDH1A3SRCPOLBALDH1A1SIRT1
SCHEMBL11683561 0.85 SRC (0.53) ALDH1A3SRCPOLBALDH1A1MAOA
SCHEMBL592586 0.84 SRC (0.47) ALDH1A3SRCPOLBALDH1A1SIRT1
SCHEMBL11567850 0.83 POLB (0.50) ALDH1A3SRCPOLBALDH1A1SIRT1
SCHEMBL3170375 0.82 SIRT1 (0.48) ALDH1A3ALDH1A1SIRT1KMT2AGAA
SCHEMBL28434069 0.82 POLB (0.52) ALDH1A3SRCPOLBALDH1A1MAOA
SCHEMBL11564337 0.82 SIRT1 (0.46) ALDH1A3SRCPOLBALDH1A1SIRT1
SCHEMBL17828390 0.82 MAOA (0.48) ALDH1A3SRCPOLBALDH1A1MAOA

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-4452264-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 EP disclosed
EP-4452263-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A P2X3 RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-10-30 EP disclosed
WO-2023118126-A1 COMBINATION OF A TASK1/3 CHANNEL BLOCKER WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed