SCHEMBL29282935

SCHEMBL29282935

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.38
KDM2A Q9Y2K7 3/20 0.36
KDM6B O15054 1/20 0.36

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
SCHEMBL9315899 0.87 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752252 0.77 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752703 0.77 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751466 0.77 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11559068 0.74 TSHR (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18087340 0.73 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29282934 0.72 FOLH1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29282936 0.72 CYP1A2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10961589 0.72
SCHEMBL2474872 0.71 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2

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
CN-118063413-A Cabazitaxel triglyceride prodrug, and preparation method and application thereof 沈阳药科大学 2024-05-24 CN claimed
CN-118063413-A Cabazitaxel triglyceride prodrug, and preparation method and application thereof 沈阳药科大学 2024-05-24 CN disclosed