SCHEMBL21697565

SCHEMBL21697565

Cc1cc(OCc2ccccc2)c(Br)cc1Cc1cc2cc(F)ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
STAT3 P40763 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MAOB P27338 3/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAOA P21397 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL20741882 0.88 CYP2A6 (0.40) L3MBTL1MAPTMAPK1TDP1BRD4
SCHEMBL21697590 0.88 PTGER1 (0.43) MRGPRX4L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL16020950 0.83 MAPT (0.32) L3MBTL1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL16018676 0.80 AKR1B1 (0.32) RAB9A
SCHEMBL21697633 0.80 SLC5A2 (0.40) SMN1; SMN2STAT3HTTMAOBHTR2A
SCHEMBL21697564 0.79 FFAR1 (0.37) FFAR1FFAR4MRGPRX4L3MBTL1MAPT
SCHEMBL7632432 0.77 TDP1 (0.47) FFAR4L3MBTL1MAPTMAPK1TDP1
SCHEMBL20741835 0.77 SLC5A2 (0.44)
SCHEMBL21697598 0.75 SLC5A2 (0.42) MRGPRX4SMN1; SMN2PTGER1RAB9A
SCHEMBL13271966 0.73 CYP2A6 (0.40) L3MBTL1MAPTTDP1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed