SCHEMBL4908122

SCHEMBL4908122

C=C(C)C(=O)OC(CC)(CCCC(=O)OC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.33
PTPRB P23467 1/20 0.33
CA12 O43570 3/20 0.32
CA14 Q9ULX7 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
RECQL P46063 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4906137 0.91 ALDH1A1 (0.37) TSHRALDH1A1CA12CA14
SCHEMBL674034 0.82 ALDH1A1 (0.39) TSHRALDH1A1LMNA
SCHEMBL28870744 0.77 ALDH1A1 (0.43) TSHRALDH1A1LMNA
SCHEMBL27733003 0.75 ALDH1A1 (0.35) TSHRALDH1A1MEN1KMT2A
SCHEMBL16329422 0.74 LMNA (0.41) TSHRALDH1A1LMNAKMT2ARECQL
SCHEMBL2116492 0.70 TSHR (0.52) TSHRALDH1A1LMNAGLAPTPRB
SCHEMBL15868617 0.68 ALDH1A1 (0.45) TSHRALDH1A1
SCHEMBL27753535 0.68 AKR1B1 (0.40) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1155285 0.68 TSHR (0.46) TSHRMEN1KMT2A
SCHEMBL1155720 0.68 TSHR (0.46) TSHRMEN1KMT2A

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
US-20080008679-A1 Osteoinduction-assisting composition KABUSHIKI KAISHA SHOFU (JP) 2008-01-10 US disclosed