SCHEMBL9812396

SCHEMBL9812396

O=C(OCc1ccccc1Br)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
IDO1 P14902 2/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PARP10 Q53GL7 1/20 0.45
NPC1 O15118 1/20 0.44
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
RIPK1 Q13546 1/20 0.39
AR P10275 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL28109969 0.81 IDO1 (0.48) IDO1MAPTKMT2ARAB9ATSHR
SCHEMBL1583054 0.80 MAPT (0.48) MMP1MMP2MMP9MMP12IDO1
SCHEMBL7765576 0.80 MAPT (0.56) MMP1MMP2MMP9MMP12IDO1
SCHEMBL5439590 0.79 IDO1 (0.47) MMP1MMP2MMP9MMP12IDO1
SCHEMBL9812562 0.79 L3MBTL1 (0.50) MMP1MMP2MMP9MMP12IDO1
SCHEMBL6702870 0.78 MMP1 (0.54) MMP1MMP2MMP9MMP12IDO1
SCHEMBL7760184 0.78 ALDH1A1 (0.56) MMP1MMP2MMP9MMP12IDO1
SCHEMBL30429390 0.78 ALDH1A1 (0.56) MMP1MMP2MMP9MMP12IDO1
SCHEMBL777869 0.77 MAPT (0.57) MMP1MMP2MMP9MMP12IDO1
SCHEMBL10800307 0.77 ALDH1A1 (0.56) MMP1MMP2MMP9MMP12IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451201-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1991-10-16 EP claimed
WO-1990006930-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1990-06-28 WO claimed
EP-0375576-A1 Preparation of bidentate ligands EASTMAN KODAK COMPANY (US) 1990-06-27 EP claimed
EP-0451201-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1991-10-16 EP disclosed
WO-1990006930-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1990-06-28 WO disclosed
EP-0375576-A1 Preparation of bidentate ligands EASTMAN KODAK COMPANY (US) 1990-06-27 EP disclosed