SCHEMBL8307015

SCHEMBL8307015

CC(=O)Nc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(CCC(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 8/20 0.45
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
PKM P14618 1/20 0.41
POLB P06746 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL8307013 0.92 ALDH1A1 (0.45) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL9070592 0.90 KDM4E (0.45) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL8554644 0.88 ALDH1A1 (0.40) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL8305025 0.88 ALDH1A1 (0.41) KDM4EMAPK1ALDH1A1NPSR1MAPT
SCHEMBL9070589 0.82 CA12 (0.43) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL8308345 0.81 ALDH1A1 (0.49) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL8554638 0.80 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL8326272 0.80 CA12 (0.41) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL8305023 0.79 ALDH1A1 (0.44) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL8841212 0.77 ALDH1A1 (0.46) KDM4EMAPK1KMT2AALDH1A1NPSR1

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-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 EP disclosed
EP-0685474-B1 Oxalylamino-benzofuran- and benzothienyl-derivatives BAYER AG (DE) 1998-09-16 EP disclosed
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5565488-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed
EP-0685474-A1 Oxalylamino-benzofuran- and benzothienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed