SCHEMBL6656426

SCHEMBL6656426

CCC(O)[C@@H](O)Oc1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
AAK1 Q2M2I8 2/20 0.38
FPR2 P25090 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
DGAT1 O75907 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL4817990 0.76 PPARA (0.49) SLC6A4AAK1FPR2SMN1; SMN2
SCHEMBL21057134 0.76 PPARA (0.49) SLC6A4AAK1FPR2SMN1; SMN2
SCHEMBL1330449 0.74 SLC6A4 (0.49) SLC6A4AAK1L3MBTL1SMN1; SMN2HTT
SCHEMBL6662309 0.73 LDHA (0.44) SLC6A4SMN1; SMN2HTTHPGDLMNA
SCHEMBL6690262 0.73 LDHA (0.44) SLC6A4SMN1; SMN2HTTHPGDLMNA
SCHEMBL6661078 0.73 LDHA (0.44) SLC6A4SMN1; SMN2HTTHPGDLMNA
SCHEMBL24901503 0.72 SLC6A4 (0.48) SLC6A4AAK1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL29517897 0.72 SLC6A4 (0.47) SLC6A4AAK1L3MBTL1TSHRKDM4E
SCHEMBL246292 0.72 SLC6A4 (0.47) SLC6A4AAK1L3MBTL1TSHRKDM4E
SCHEMBL23368110 0.72 HTT (0.43) AAK1SMN1; SMN2HTTHPGDLMNA

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-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP disclosed