SCHEMBL8585932

SCHEMBL8585932

CC(C)SCC[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.51
▸ METAP1 P53582 2/20 0.51
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ APAF1 O14727 1/20 0.40
▸ TBXAS1 P24557 2/20 0.40
▸ GLS O94925 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ EPHX1 P07099 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
SCHEMBL8585930 1.00 METAP2 (0.51) METAP2METAP1CYP2C19SMN1; SMN2MAPT
SCHEMBL8585401 0.82 CYP2C19 (0.49) CYP2C19SMN1; SMN2TBXAS1GLSPOLB
SCHEMBL8585405 0.82 CYP2C19 (0.49) CYP2C19SMN1; SMN2TBXAS1GLSPOLB
SCHEMBL8586715 0.79 CYP2C19 (0.50) METAP2METAP1CYP2C19SMN1; SMN2MAPT
SCHEMBL8586716 0.79 CYP2C19 (0.50) METAP2METAP1CYP2C19SMN1; SMN2MAPT
SCHEMBL30371912 0.79 CYP2C19 (0.61) CYP2C19SMN1; SMN2TBXAS1POLBCYP2D6
SCHEMBL1716620 0.78 POLB (0.53) CYP2C19SMN1; SMN2APAF1TBXAS1POLB
SCHEMBL28807878 0.78 TBXAS1 (0.51) CYP2C19SMN1; SMN2APAF1TBXAS1POLB
SCHEMBL8582940 0.76 CYP2C19 (0.46) CYP2C19SMN1; SMN2TBXAS1GLSPOLB
SCHEMBL8582941 0.76 CYP2C19 (0.46) CYP2C19SMN1; SMN2TBXAS1GLSPOLB

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
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