SCHEMBL29282934

SCHEMBL29282934

CC(CCC(=O)O)SSCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.48
TSHR P16473 3/20 0.45
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 1/20 0.43
LMNA P02545 2/20 0.39

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
SCHEMBL16710774 0.89 FOLH1 (0.43) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL19522729 0.85 GABRP (0.45) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL9315899 0.83 GABRP (0.54) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL18087340 0.82 GABRP (0.45) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL18087343 0.80 GABRP (0.37) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL11559068 0.79 TSHR (0.46) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL16646709 0.78 ALDH1A1 (0.36) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL21988180 0.78 FOLH1 (0.50) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL12743238 0.77 TSHR (0.47) TSHRSLC22A6AKR1B1ALDH1A1FFAR4
SCHEMBL1751466 0.77 GABRP (0.48) FOLH1TSHRGABRPGABRDGABRA1

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