SCHEMBL4906146

SCHEMBL4906146

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.37
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
CYP1A2 P05177 1/20 0.34
FOLH1 Q04609 6/20 0.32

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
SCHEMBL4908130 0.91 TSHR (0.37) TSHRALDH1A1FOLH1
SCHEMBL674036 0.84 TSHR (0.41) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL15043169 0.78 TSHR (0.36) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL28364542 0.78 TSHR (0.39) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL4448432 0.77 TSHR (0.36) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL2974754 0.75 TSHR (0.42) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL673207 0.72 TDP1 (0.45) TSHRALDH1A1THRB
Succinic Acid SCHEMBL7515703 0.71 TSHR (0.45) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL4906144 0.71 THRB (0.41) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL5177443 0.70 TSHR (0.50) TSHRALDH1A1THRB

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