SCHEMBL7998432

SCHEMBL7998432

OCCc1ccc2c(c1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX5 P09917 1/20 0.47
GAA P10253 1/20 0.47
BACE1 P56817 1/20 0.47
RXRB P28702 5/20 0.44
RXRA P19793 4/20 0.42
RXRG P48443 4/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CA2 P00918 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CETP P11597 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8853672 0.98 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EALOX5GAA
SCHEMBL81351 0.88 RXRB (0.42) ALDH1A1RXRBRXRARXRGNPC1
SCHEMBL16595947 0.86 GRIN2B (0.42) ALDH1A1MAPTRXRBRXRARXRG
SCHEMBL9720050 0.84 TSHR (0.46) ALDH1A1MAPTRXRBRXRARXRG
SCHEMBL1465705 0.83 RXRB (0.46) ALDH1A1MAPTRXRBRXRARXRG
SCHEMBL9392878 0.82 BCHE (0.48) RXRBCA2ADRA2AALOX15
SCHEMBL2633408 0.80 GRIN2B (0.46) ALDH1A1MAPTRXRBRXRARXRG
SCHEMBL19158886 0.79 NPC1 (0.45) ALDH1A1MAPTRXRBRXRARXRG
SCHEMBL3452332 0.79 RXRB (0.41) ALDH1A1MAPTRXRBRXRARXRG
SCHEMBL5079011 0.79 TAAR1 (0.45) ALDH1A1MAPTKDM4EGAABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed
US-5932594-A Muscarinic receptor antagonists PFIZER, INC. (US) 1999-08-03 US disclosed
EP-0441852-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1997-05-14 EP disclosed
US-5607950-A IRRITABLE BOWEL SYNDROME PFIZER INC. (US) 1997-03-04 US disclosed
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
US-5422358-A Muscarinic receptor antagonists PFIZER INC (US) 1995-06-06 US disclosed
US-5418229-A Treating smooth muscle diseases ALKER DAVID (GB) 1995-05-23 US disclosed
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5397800-A Gastrointestinal disorders PFIZER INC. (US) 1995-03-14 US disclosed
EP-0505379-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-07-20 EP disclosed
EP-0364123-B1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-06-12 EP disclosed
EP-0404359-A1 Dibenzothiazepine derivatives useful as antispasmodic agents Pfizer Limited (GB) 1990-12-27 EP disclosed
CN-1045580-A Pyrrolidin derivatives PFIZER (US) 1990-09-26 CN disclosed
EP-0388054-A1 Pyrrolidine derivatives Pfizer Limited (GB) 1990-09-19 EP disclosed
EP-0376358-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-07-04 EP disclosed
WO-1990005133-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-17 WO 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
CN-1041583-A MUSCARMIC RECEPTOR ANTAGONISTS PFIZER (US) 1990-04-25 CN disclosed
EP-0364123-A1 Muscarinic receptor antagonists Pfizer Limited (GB) 1990-04-18 EP disclosed