SCHEMBL9045280

SCHEMBL9045280

Cc1cc(C)cc(C(=O)c2nccnc2OC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
TPMT P51580 1/20 0.40
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IGFBP3 P17936 1/20 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
SCHEMBL9045871 0.85 POLB (0.46) ALDH1A1MAPTPOLBHPGD
SCHEMBL9042061 0.79 KMT2A (0.48) ALDH1A1MAPTGAATDP1POLB
SCHEMBL8994491 0.78 KDM4E (0.58) KDM4EALDH1A1MAPTTPMTGAA
SCHEMBL377060 0.71 NAPRT (0.36) KDM4EALDH1A1MAPTTDP1HCAR2
SCHEMBL7719703 0.71 TSHR (0.35) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7937175 0.66 TPMT (0.65) ALDH1A1MAPTTPMTGAAHCAR1
SCHEMBL5233290 0.66 RAB9A (0.51) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL133987 0.64 TPMT (0.62) ALDH1A1MAPTTPMTGAATDP1
SCHEMBL7534857 0.64 NAPRT (0.34) KDM4EHCAR2
SCHEMBL23457440 0.64 CASP3 (0.74) KDM4EAPAF1NSD2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602097-B1 TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
EP-0602097-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005047-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed