SCHEMBL8791802

SCHEMBL8791802

COC(=O)CNC(=O)c1ccc(Cc2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR1 O14842 1/20 0.40
MAPK1 P28482 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
SCHEMBL8790254 0.86 NPC1 (0.53) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL8790454 0.81 SMN1; SMN2 (0.56) HDAC4HDAC1HDAC6POLBKMT2A
SCHEMBL28311788 0.81 HPGD (0.57) HDAC3HDAC4HDAC1HDAC6KMT2A
SCHEMBL8790988 0.80 POLB (0.45) HDAC4HDAC1HDAC6POLBKMT2A
SCHEMBL8791196 0.80 HPGD (0.46) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL6356334 0.78 ALOX5 (0.46) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL8791232 0.78 NPC1 (0.61) HDAC1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL8791751 0.77 HPGD (0.52) HDAC4HDAC1HDAC6POLBKMT2A
SCHEMBL8791087 0.75 POLB (0.71) POLBKMT2ATDP1SMN1; SMN2RAB9A
SCHEMBL8791352 0.75 POLB (0.43) HDAC3HDAC4HDAC1HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
US-RE35321-E ANTIDIABETIC AGENT WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed