SCHEMBL5170220

SCHEMBL5170220

O=C(O)CCCCCCn1c(O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.56
FABP5 Q01469 2/20 0.56
PTGS1 P23219 4/20 0.52
PTGS2 P35354 4/20 0.52
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL25465029 0.77 PTGS1 (0.57) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL28392436 0.76 FABP4 (0.51) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL31156410 0.74 FABP4 (0.97) FABP4FABP5HDAC1HDAC6TBXAS1
SCHEMBL25465028 0.74 PTGS1 (0.53) FABP4FABP5PTGS1PTGS2LMNA
Sebacic Acid SCHEMBL27937400 0.69 TSHR (0.86) FABP4FABP5LMNATSHRNFKB1
Sebacic Acid SCHEMBL301600 0.69 TSHR (1.00) FABP4FABP5LMNATSHRNFKB1
Adipic Acid SCHEMBL5475921 0.69 TSHR (1.00) FABP4FABP5LMNATSHRNFKB1
SCHEMBL25186232 0.69 TSHR (1.00) FABP4FABP5LMNATSHRNFKB1
SCHEMBL21065467 0.69 TSHR (1.00) FABP4FABP5LMNATSHRNFKB1
Sebacic Acid SCHEMBL20500595 0.69 TSHR (1.00) FABP4FABP5LMNATSHRNFKB1

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
WO-2007107276-A3 PROCESS FOR PREPARING C7 INTERMEDIATES AND THEIR USE IN THE PREPARATION OF N-SUBSTITUTED PYRROLE DERIVATIVES RATIOPHARM GMBH (DE) 2008-07-03 WO disclosed
WO-2007107276-A2 PROCESS FOR PREPARING C7 INTERMEDIATES AND THEIR USE IN THE PREPARATION OF N-SUBSTITUTED PYRROLE DERIVATIVES RATIOPHARM GMBH (DE) 2007-09-27 WO disclosed