SCHEMBL8938549

SCHEMBL8938549

O=C(O)Cc1ccc2c(c1)CCOO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
FABP4 P15090 1/20 0.43
CA2 P00918 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8938407 0.91 AKR1B1 (0.43) AKR1B1FABP4CA2POLBKDM4E
SCHEMBL1403662 0.84 FABP4 (0.56) AKR1B1FABP4CA2POLBMAPT
SCHEMBL11694491 0.84 AKR1B1 (0.46) AKR1B1CA2POLBKDM4EMAPT
SCHEMBL9480637 0.80 CYP4F2 (0.42) POLBKDM4ERAB9ANPC1CASP3
Formic Acid SCHEMBL28322635 0.79 RAB9A (0.54) AKR1B1FABP4POLBMAPTRAB9A
SCHEMBL9327652 0.78 CTNNB1 (0.55) AKR1B1FABP4POLBHPGDHSD17B10
SCHEMBL8938493 0.78 ALDH1A1 (0.39) CA2POLBKDM4EMAPTGAA
SCHEMBL18149084 0.78 RAB9A (0.35) POLBMAPTRAB9ANPC1CASP3
SCHEMBL28071044 0.76 ALDH1A1 (0.49) FABP4CA2POLBKDM4EMAPT
SCHEMBL5233065 0.74 AKR1B1 (0.49) AKR1B1CA2POLBKDM4EMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
EP-0510003-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES PFIZER LTD (GB) 1995-09-27 EP disclosed
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5344835-A Muscarinic receptor antagonists, smooth muscle relaxants, irritable bowel syndrome PFIZER INC. (US) 1994-09-06 US disclosed
US-5302595-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-12 US disclosed
EP-0388054-B1 Pyrrolidine derivatives PFIZER LTD (GB) 1993-11-03 EP disclosed
US-5233053-A Pyrrolidine derivatives PFIZER INC. (US) 1993-08-03 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US disclosed
US-5219871-A MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-06-15 US disclosed
US-5192765-A Smooth muscle, bowel, bladder and airway diseases PFIZER INC. (US) 1993-03-09 US disclosed
US-5096890-A PYRROLIDINE DERIVATIVES PFIZER INC. (US) 1992-03-17 US disclosed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US disclosed
EP-0438533-A1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-07-31 EP disclosed
WO-1991010650-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES PFIZER LIMITED (GB) 1991-07-25 WO disclosed
EP-0364123-B1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-06-12 EP disclosed
EP-0388054-A1 Pyrrolidine derivatives Pfizer Limited (GB) 1990-09-19 EP disclosed
WO-1990004583-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-03 WO disclosed
EP-0365093-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-04-25 EP disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 EP disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed