SCHEMBL20021746

SCHEMBL20021746

CC(C)(c1cc(C(=O)OCc2ccccc2)no1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 4/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
FTO Q9C0B1 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20173263 0.87 SCD (0.49) ALDH1A1L3MBTL1TSHRRAB9ACASP3
SCHEMBL23021427 0.80 TDP1 (0.43) ALDH1A1L3MBTL1TSHRRAB9ACASP3
SCHEMBL25818750 0.77 KMT2A (0.41) ALDH1A1L3MBTL1TDP1KMT2ASLC6A2
SCHEMBL20181860 0.77 CYP1A2 (0.58) ALDH1A1L3MBTL1TSHRRAB9ACASP3
SCHEMBL27253016 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRRAB9ACASP3
SCHEMBL20654706 0.75 SMN1; SMN2 (0.59) ALDH1A1L3MBTL1TSHRRAB9ATDP1
SCHEMBL23021326 0.74 PDK1 (0.42) ALDH1A1L3MBTL1TSHRRAB9ACASP3
SCHEMBL20278723 0.74 L3MBTL1 (0.50) ALDH1A1L3MBTL1TSHRRAB9ATDP1
SCHEMBL23189038 0.73 MAPT (0.47) ALDH1A1TSHRLMNANPC1SMN1; SMN2
SCHEMBL8138007 0.72 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRRAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828178-A1 PYRIDINE SALTS AND PROCESS Daiichi Sankyo Company, Limited (JP) 2021-06-02 EP disclosed
WO-2018060714-A1 PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-05 WO disclosed