SCHEMBL7830236

SCHEMBL7830236

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
TBXAS1 P24557 2/20 0.44
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL909284 1.00 CYP2C19 (0.53) CYP2C19CYP2D6SRCLMNAMAPK1
Hydrochloric Acid SCHEMBL908468 0.98 CYP2C19 (0.52) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL2364634 0.88 CYP2C19 (0.50) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL962850 0.88 TBXAS1 (0.52) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL11637533 0.88 CYP2C19 (0.44) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL30371912 0.87 CYP2C19 (0.61) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL8868237 0.86 TBXAS1 (0.55) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL908467 0.86 CYP2C19 (0.43) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL22397201 0.84 POLB (0.53) CYP2C19CYP2D6LMNAPOLBMEN1
SCHEMBL28223379 0.84 EPHX1 (0.59) CYP2C19CYP2D6SRCLMNAMAPK1

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-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed