SCHEMBL4908128

SCHEMBL4908128

C=C(C)C(=O)OCCC(CCCC(=O)O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FOLH1 Q04609 3/20 0.34
ENPEP Q07075 2/20 0.30
ADRA1A P35348 1/20 0.30
GSTK1 Q9Y2Q3 1/20 0.30
PLA2G2C Q5R387 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
SCHEMBL4906144 0.91 THRB (0.41) TSHRCA1CA2THRBALDH1A1
SCHEMBL610793 0.88 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL674035 0.83 THRB (0.42) TSHRCA1CA2THRBALDH1A1
SCHEMBL28837643 0.82 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8995164 0.78 FOLH1 (0.47) TSHRTHRBFOLH1
SCHEMBL75261 0.77 TSHR (0.60) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27819329 0.76 CA2 (0.67) TSHRCA1CA2ALDH1A1TDP1
SCHEMBL18492409 0.76 THRB (0.50) TSHRCA2THRBALDH1A1POLB
SCHEMBL29011785 0.76 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL883316 0.76 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1

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