SCHEMBL8092356

SCHEMBL8092356

O=C(O)c1ccc(-c2ccc(OCCCBr)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.67
PKM P14618 1/20 0.61
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
PLA2G4B P0C869 5/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SRD5A2 P31213 1/20 0.51
PLA2G4A P47712 1/20 0.51

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
SCHEMBL9629081 0.95 RARB (0.74) RARBPKMTSHRTP53PLA2G4B
SCHEMBL7332072 0.95 RARB (0.74) RARBPKMTSHRTP53PLA2G4B
SCHEMBL9630999 0.95 RARB (0.74) RARBPKMTSHRTP53PLA2G4B
SCHEMBL1925564 0.95 PKM (0.67) RARBPKMTSHRTP53PLA2G4B
SCHEMBL5482659 0.91 TP53 (0.69) RARBPKMTSHRTP53PLA2G4B
SCHEMBL5477923 0.89 TP53 (0.72) RARBPKMTSHRTP53PLA2G4B
SCHEMBL5096607 0.89 TP53 (0.72) RARBPKMTSHRTP53PLA2G4B
SCHEMBL9666009 0.89 TP53 (0.72) RARBPKMTSHRTP53PLA2G4B
SCHEMBL303109 0.89 TP53 (0.72) RARBPKMTSHRTP53PLA2G4B
SCHEMBL303140 0.89 TP53 (0.72) RARBPKMTSHRTP53PLA2G4B

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-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed