SCHEMBL5504556

SCHEMBL5504556

COc1ccc2cc(C(Br)C=O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.53
AKR1C2 P52895 6/20 0.53
PTGS2 P35354 3/20 0.53
PTGS1 P23219 3/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ABCB11 O95342 1/20 0.50
AKR1C1 Q04828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 2/20 0.47
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL1155920 0.83 ALDH1A1 (0.48) TSHRCYP1A2TDP1L3MBTL1CYP2A6
SCHEMBL7343785 0.82 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL380929 0.81 CHRM2 (0.49) L3MBTL1
SCHEMBL30218646 0.81 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL4831638 0.81 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL616312 0.81 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL29533915 0.81 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL2915186 0.81 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL9702250 0.80 ABCB11 (0.58) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL1701106 0.78 UGT2B7 (0.47) CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794138-A2 THIAZOLO-NAPHTHYL ACIDS AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Wyeth (US) 2007-06-13 EP disclosed
EP-1781645-A1 OXAZOLO-NAPHTHYL ACIDS AS PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1(PAI-1) MODULATORS USEFUL IN THE TREATMENT OF THROMBOSIS AND CARDIOVASCULAR DISEASES Wyeth (US) 2007-05-09 EP disclosed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP disclosed
WO-2006023866-A2 THIAZOLO-NAPHTHYL ACIDS AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 WYETH (US) 2006-03-02 WO disclosed
WO-2006023865-A1 OXAZOLO-NAPHTHYL ACIDS AS PLAMINOGEN ACTIVATOR INHIBTOR TYPE-1 (PAI-1) MODULATORS USEFUL IN THE TREATMENT OF THROMBOSIS AND CARDIOVASCULAR DISEASES WYETH (US) 2006-03-02 WO disclosed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 WO disclosed