SCHEMBL8308427

SCHEMBL8308427

CC(=O)Nc1ccc(C(=O)CCC(=O)O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.43
CYP1A1 P04798 2/20 0.43
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MB P02144 1/20 0.43
CA3 P07451 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
RARG P13631 1/20 0.43
TSHR P16473 1/20 0.43
ALOX5AP P20292 1/20 0.43

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
SCHEMBL11582150 0.88 POLB (0.54) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL8591572 0.86 POLB (0.77) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL11263717 0.84 NPC1 (0.56) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL10888526 0.84 POLB (0.73) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL11235452 0.83 POLB (1.00) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL8307201 0.81 POLB (0.74) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL729994 0.80 SMN1; SMN2 (0.70) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL11804736 0.79 SMN1; SMN2 (0.68) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL31254026 0.79 SMN1; SMN2 (0.72) POLBSMN1; SMN2KMT2AMEN1PKM
SCHEMBL1258654 0.79 SMN1; SMN2 (0.72) POLBSMN1; SMN2KMT2AMEN1PKM

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