SCHEMBL6870554

SCHEMBL6870554

CC(=O)C(C)(C)Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.46
POLB P06746 7/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
USP2 O75604 1/20 0.41
CTSC P53634 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL28013833 0.85 POLB (0.51) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL4485884 0.85 RIPK1 (0.50) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL4485726 0.81 RIPK1 (0.47) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL3679679 0.78 RIPK1 (0.44) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL6438457 0.78 HSD17B10 (0.48) RIPK1L3MBTL1POLBALDH1A1HPGD
SCHEMBL3000409 0.78 L3MBTL1 (0.52) RIPK1L3MBTL1POLBALDH1A1HPGD
SCHEMBL28135655 0.78 CYP2C19 (0.50) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL27561210 0.77 L3MBTL1 (0.48) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL28345914 0.76 ADRA2A (0.44) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL17009210 0.76 POLB (0.50) RIPK1L3MBTL1CYP2C19POLBALDH1A1

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
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 WO disclosed