SCHEMBL433576

SCHEMBL433576

CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.68
MEN1 O00255 1/20 0.55
HSP90AA1 P07900 1/20 0.55
KMT2A Q03164 1/20 0.55
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER2 P43116 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
APP P05067 1/20 0.48
MAPT P10636 1/20 0.48
BACE1 P56817 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
PTGDR Q13258 1/20 0.47

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
SCHEMBL7907911 1.00 HDAC8 (0.68) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL1550021 0.93 HDAC8 (0.65) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL18538460 0.93 HDAC8 (0.79) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL1550023 0.93 HDAC8 (0.65) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL3864584 0.92 HDAC8 (0.62) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL27737309 0.92 HDAC8 (0.65) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL3864580 0.92 HDAC8 (0.62) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL27716287 0.91 HDAC8 (0.64) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL12035844 0.90 HDAC8 (0.56) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL15248918 0.89 HDAC8 (0.60) HDAC8MEN1HSP90AA1KMT2AAKR1B10

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-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-5047430-A Glutamate Receptor Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-10 US disclosed
EP-0339927-A2 Amide compounds their production and use Takeda Chemical Industries, Ltd. (JP) 1989-11-02 EP disclosed