SCHEMBL9304780

SCHEMBL9304780

CCOC(=O)CC(C)(C)N(C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PPID Q08752 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RIPK1 Q13546 2/20 0.47
HSD11B1 P28845 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MMP8 P22894 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7437685 0.82 SMN1; SMN2 (0.50) ALDH1A1POLBPPIDHSD11B1SMN1; SMN2
SCHEMBL18098741 0.80 RIPK1 (0.50) ALDH1A1L3MBTL1LMNARIPK1NPC1
SCHEMBL19139305 0.79 MMP8 (0.51) ALDH1A1POLBL3MBTL1LMNAHSD17B10
SCHEMBL8337648 0.75 ALDH1A1 (0.57) ALDH1A1POLBL3MBTL1PPIDLMNA
Malonic Acid Diethyl Ester SCHEMBL11067701 0.75 ALDH1A1 (0.57) ALDH1A1POLBL3MBTL1PPIDLMNA
SCHEMBL13539071 0.75 ALDH1A1 (0.48) ALDH1A1POLBL3MBTL1PPIDLMNA
SCHEMBL3184733 0.74 ALDH1A1 (0.54) ALDH1A1POLBL3MBTL1PPIDLMNA
SCHEMBL11190772 0.74 RAB9A (0.72) ALDH1A1POLBL3MBTL1PPIDLMNA
SCHEMBL9037437 0.74 MMP8 (0.52) ALDH1A1POLBPPIDHSD11B1SMN1; SMN2
SCHEMBL19954207 0.73 TSHR (0.52) ALDH1A1LMNARIPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505379-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-07-20 EP disclosed
US-5302595-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-12 US disclosed
US-5300516-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-05 US disclosed
US-5219871-A MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-06-15 US disclosed
EP-0364123-B1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-06-12 EP disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 EP disclosed