SCHEMBL535747

SCHEMBL535747

O=C(O)C1=CCC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.35
CCR2 P41597 1/20 0.34
RIPK1 Q13546 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EDNRA P25101 1/20 0.32
ALDH1A1 P00352 2/20 0.31
DAO P14920 1/20 0.31
TSHR P16473 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCL2L1 Q07817 2/20 0.31
MCL1 Q07820 2/20 0.31

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
Hydrochloric Acid SCHEMBL6257138 0.98 HDAC4 (0.34) HDAC4CCR2RIPK1AKR1C3AKR1C1
SCHEMBL3430409 0.86 PARP1 (0.35) HDAC4RIPK1POLBTDP1KDM4E
SCHEMBL19338351 0.86 CA12 (0.35)
SCHEMBL22749044 0.85 CCR2 (0.38) CCR2TDP1KDM4EBCL2L1
SCHEMBL23050146 0.82 TSHR (0.41) POLBTDP1KDM4EKMT2AALDH1A1
SCHEMBL4781477 0.82 ALDH1A1 (0.40) HDAC4KDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL16715925 0.80 EPHX1 (0.51) HDAC4KMT2ATSHR
SCHEMBL27714395 0.76 CYP3A4 (0.47) KDM4EKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL12087540 0.76 HDAC4 (0.34) HDAC4POLBKDM4EKMT2ATSHR
SCHEMBL22115711 0.75 SNCA (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245160-A1 MEDICAL USES, METHODS AND USES FENOMARK DIAGNOSTICS AB (SE) 2020-12-10 WO claimed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP claimed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP claimed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO claimed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO claimed
EP-3483161-B1 INTERMEDIATES USED TO MAKE ENTECAVIR ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-03-03 EP disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
EP-2768507-A2 BIOMARKERS PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT Novartis AG (CH) 2014-08-27 EP disclosed
EP-2667862-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS Novartis AG (CH) 2013-12-04 EP disclosed
WO-2013057687-A2 BIOMARKERS PREDICTIVE OF RESPONSIVENESS TO ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVATOR TREATMENT NOVARTIS AG (CH) 2013-04-25 WO disclosed
WO-2012101060-A1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA 7 ACTIVATORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003033457-A1 BIPHENYL-DERIVATIVES AS P38-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003032971-A1 5’-ACYLAMINO-1,1’-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed