SCHEMBL7608976

SCHEMBL7608976

COC(=O)c1ccc(C[C@@H]2CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
CYP4A11 Q02928 2/20 0.50
CYP4F2 P78329 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7608979 1.00 LOXL2 (0.54) LOXL2CYP4A11CYP4F2RAB9ANPC1
SCHEMBL9133875 0.85 CYP4A11 (0.57) LOXL2CYP4A11CYP4F2RAB9ANPC1
SCHEMBL2131336 0.84 CA12 (0.53) RAB9ANPC1SMN1; SMN2MAPTCA1
SCHEMBL9181993 0.82 PRSS1 (0.44) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL9232501 0.81 LOXL2 (0.49) LOXL2CYP4A11CYP4F2RAB9ANPC1
SCHEMBL13560681 0.81 KMT2A (0.53) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28587445 0.80 LOXL2 (0.44) LOXL2CYP4A11CYP4F2RAB9ANPC1
SCHEMBL31352725 0.79 LOXL2 (0.58) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL2783327 0.79 ALDH1A1 (0.48) SMN1; SMN2MAPTTDP1MEN1KMT2A
SCHEMBL14063048 0.78 TP53 (0.42) SMN1; SMN2MAPTKMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
CN-1304401-A Calcilytic compounds SMITHKINE BEECHAM CORP (US) 2001-07-18 CN disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed