SCHEMBL8585405

SCHEMBL8585405

CSCC[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.49
▸ RNPEP Q9H4A4 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ GLS O94925 1/20 0.41

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
SCHEMBL8585401 1.00 CYP2C19 (0.49) CYP2C19RNPEPGAAKDM4EALOX15
SCHEMBL8582941 0.89 CYP2C19 (0.46) CYP2C19RNPEPGAASMN1; SMN2CYP2D6
SCHEMBL8582940 0.89 CYP2C19 (0.46) CYP2C19RNPEPGAASMN1; SMN2CYP2D6
SCHEMBL8585710 0.88 TBXAS1 (0.48) CYP2C19GAASMN1; SMN2CYP2D6POLB
SCHEMBL8585706 0.88 TBXAS1 (0.48) CYP2C19GAASMN1; SMN2CYP2D6POLB
SCHEMBL8584371 0.83 KMT2A (0.51) CYP2C19GAAMEN1KMT2A
SCHEMBL9108453 0.82 CYP2C19 (0.53) CYP2C19GAASMN1; SMN2CYP2D6SRC
SCHEMBL8585932 0.82 METAP2 (0.51) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL8585930 0.82 METAP2 (0.51) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL8586715 0.82 CYP2C19 (0.50) CYP2C19SMN1; SMN2CYP2D6SRCPOLB

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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