SCHEMBL20004827

SCHEMBL20004827

COc1cc(OC2CCCCO2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTPN1 P18031 4/20 0.38
PDE4B Q07343 2/20 0.38
DHFR P00374 1/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 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
SCHEMBL1755976 0.90 HSD11B1 (0.41) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL10923350 0.87 CA12 (0.46) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL15100429 0.83 PTPN1 (0.43) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL15100385 0.83 PTPN1 (0.43) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL2893577 0.83 NPC1 (0.40) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL15100426 0.83 PTPN1 (0.43) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL3451372 0.83 HSD11B1 (0.43) HSD11B1NPC1RAB9APDE4BDHFR
SCHEMBL7242085 0.82 NPC1 (0.46) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL7157436 0.81 LMNA (0.41) HSD11B1NPC1RAB9APTPN1PDE4B
SCHEMBL29394265 0.80 ALDH1A1 (0.54) NPC1RAB9APTPN1PDE4BALDH1A1

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed