SCHEMBL9458056

SCHEMBL9458056

CC(C)(C)c1ccc(Oc2cc(F)cc(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
DHODH Q02127 1/20 0.40
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
FGFR2 P21802 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
VEGFA P15692 2/20 0.36
PTPN1 P18031 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SLC6A4 P31645 1/20 0.35
GAA P10253 2/20 0.34
CYP1A2 P05177 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
SCHEMBL26709197 0.86 VEGFA (0.35) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL27018957 0.84 RAB9A (0.53) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL8653265 0.82 HSPB1 (0.41) MAPTKDM4EVEGFAGAA
SCHEMBL11608881 0.78 MAPT (0.63) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL4787821 0.78 RAB9A (0.63) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL17998024 0.78 RAB9A (0.68) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL23391383 0.77 LTA4H (0.48) RAB9ANPC1VEGFA
SCHEMBL26262687 0.76 MAPT (0.52) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL427816 0.75 RAB9A (0.77) RAB9AALDH1A1NPC1HPGDMAPT
SCHEMBL127279 0.75 RAB9A (0.77) RAB9AALDH1A1NPC1HPGDMAPT

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
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed