SCHEMBL7737544

SCHEMBL7737544

Brc1ccc(COC2CCCCO2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CREBBP Q92793 2/20 0.36
DHFR P00374 1/20 0.35
PARP1 P09874 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
EP300 Q09472 1/20 0.33
P2RX3 P56373 1/20 0.33
MET P08581 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL15349912 0.86 KDM4C (0.53) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL1548491 0.83 KDM4C (0.43) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL26667763 0.83 L3MBTL1 (0.46) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL4079719 0.81 ICAM1 (0.42) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL2884836 0.81 ICAM1 (0.42) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL22070905 0.80 KDM4C (0.43) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL17288096 0.78 MEN1 (0.51) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL15919709 0.78 MEN1 (0.57) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21069390 0.78 KDM4C (0.47) KDM4CICAM1SELEL3MBTL1NPC1
SCHEMBL3999018 0.78 ICAM1 (0.42) KDM4CICAM1SELEL3MBTL1NPC1

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
US-6416861-B1 COMBINATORIAL CHEMISTRY NORTHWESTERN UNIVERSITY 2002-07-09 US disclosed
WO-2000049022-A2 ORGANOSILICON COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2000-08-24 WO disclosed