SCHEMBL21697589

SCHEMBL21697589

Cc1cc(OCc2ccccc2)c(Br)cc1C(O)c1cc2cc(Cl)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PPARA Q07869 1/20 0.35
CCR5 P51681 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL21697612 0.89 SMN1; SMN2 (0.37) SMN1; SMN2MAPTHTTL3MBTL1RAB9A
SCHEMBL21697564 0.89 FFAR1 (0.37) PTGER1MRGPRX4SMN1; SMN2LMNAMAPT
SCHEMBL16020955 0.84 KDM4E (0.36) SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL16018679 0.80 CYP2A6 (0.31)
SCHEMBL21697590 0.79 PTGER1 (0.43) PTGER1MRGPRX4CCR5SMN1; SMN2LMNA
SCHEMBL20741824 0.78 ABCB1 (0.41) SMN1; SMN2MAPTRAB9A
SCHEMBL21697595 0.77 SMN1; SMN2 (0.37) PTGER1SMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL21697537 0.75 MRGPRX4 (0.36) PTGER1MRGPRX4SMN1; SMN2RAB9A
SCHEMBL21697661 0.75 HPGD (0.45) PPARASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL16020939 0.75 MAPT (0.36) PPARALMNAMAPTL3MBTL1RAB9A

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