SCHEMBL8584375

SCHEMBL8584375

CSC(C)CC(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
PTGS1 P23219 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 1/20 0.39
UBE2N P61088 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL7051969 0.81 CYP2C19 (0.50) CYP2C19SMN1; SMN2APAF1CYP2D6SRC
SCHEMBL1716112 0.81 CYP2C19 (0.53) CYP2C19SMN1; SMN2APAF1CYP2D6SRC
SCHEMBL7973743 0.80 CYP2C19 (0.61) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL27659178 0.79 CYP2C19 (0.52) CYP2C19SMN1; SMN2APAF1CYP2D6SRC
SCHEMBL2872818 0.79 APAF1 (0.53) CYP2C19SMN1; SMN2APAF1CYP2D6SRC
SCHEMBL8583905 0.78 CYP2C19 (0.50) CYP2C19SMN1; SMN2APAF1CYP2D6SRC
SCHEMBL28980645 0.77 MEN1 (0.49) CYP2C19SMN1; SMN2POLBLMNA
SCHEMBL9108453 0.77 CYP2C19 (0.53) CYP2C19SMN1; SMN2APAF1CYP2D6SRC
SCHEMBL10150939 0.77 CYP2C19 (0.57) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL18098108 0.76 CYP2C19 (0.49) CYP2C19SMN1; SMN2APAF1POLBLMNA

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-0603229-B1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1998-06-10 EP disclosed
US-5543419-A TREATING CHRONIC OBSTRUCTIVE AIRWAYS DISEASE OR ASTHMA; ANTIMUSCARINIC BRONCHODILATOR AGENTS PFIZER INC (US) 1996-08-06 US disclosed
EP-0603229-A1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1994-06-29 EP disclosed
WO-1993006098-A1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1993-04-01 WO disclosed