SCHEMBL4906137

SCHEMBL4906137

C=C(C)C(=O)OC(CC)(CCC(=O)OC)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.35
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
THRB P10828 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
SCHEMBL4908122 0.91 TSHR (0.39) ALDH1A1TSHRCA12CA14
SCHEMBL674034 0.84 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL28870744 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL27651542 0.71 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL16329422 0.71 LMNA (0.41) ALDH1A1TSHR
SCHEMBL15868617 0.70 ALDH1A1 (0.45) ALDH1A1TSHRTHRB
SCHEMBL15271624 0.69 MGAM (0.39) ALDH1A1TSHRTHRB
SCHEMBL28404156 0.69 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL1494476 0.68 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL12809727 0.68 TSHR (0.44) ALDH1A1TSHRCA12CA14

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