SCHEMBL726437

SCHEMBL726437

COc1ccc(SCC(C)CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.44
FFAR1 O14842 1/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
LDHA P00338 1/20 0.42
HTT P42858 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL12264723 0.81 MMP2 (0.49) MTNR1AMTNR1BALDH1A1NPC1TP53
SCHEMBL2206895 0.80 MTNR1A (0.44) MTNR1AMTNR1BKMT2AALDH1A1NPC1
SCHEMBL25220488 0.79 ACE (0.54) ALDH1A1FFAR1LDHASMN1; SMN2
SCHEMBL6380461 0.79 MTNR1A (0.50) MTNR1AMTNR1BKMT2AALDH1A1NPC1
SCHEMBL23295253 0.78 APP (0.45) MTNR1AMTNR1BKMT2AALDH1A1NPC1
SCHEMBL7075160 0.78 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1NPC1TP53
SCHEMBL12264121 0.78 KMT2A (0.47) MTNR1AMTNR1BKMT2AALDH1A1FFAR1
SCHEMBL14016944 0.77 ALDH1A1 (0.44) MTNR1AMTNR1BKMT2AALDH1A1NPC1
SCHEMBL11986376 0.76 ALDH1A1 (0.72) MTNR1AMTNR1BKMT2AALDH1A1FFAR1
SCHEMBL4255888 0.76 ALDH1A1 (0.72) MTNR1AMTNR1BKMT2AALDH1A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738738-B2 2011-08-03 JP claimed
EP-1576089-A4 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD (IL) 2007-02-14 EP claimed
EP-1485464-A4 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA CELL LTD (IL) 2006-11-29 EP claimed
JP-2005528088-A 2005-09-22 JP claimed
EP-1576089-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS Gamida Cell Ltd. (IL) 2005-09-21 EP claimed
EP-1485464-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS Gamida Cell Ltd. (IL) 2004-12-15 EP claimed
WO-2003078567-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA-CELL LTD. (IL) 2003-09-25 WO claimed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO claimed