SCHEMBL11565232

SCHEMBL11565232

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 5/20 0.40
EGLN1 Q9GZT9 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
TSHR P16473 4/20 0.39
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 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
SCHEMBL932574 0.88 NAALAD2 (0.41) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL23777424 0.81 TSHR (0.39) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL26744419 0.80 NAALAD2 (0.42) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL29282936 0.78 CYP1A2 (0.39) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL16710877 0.77 GPR84 (0.41) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL28498003 0.76
SCHEMBL15100349 0.75 NAALAD2 (0.50) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL120318 0.75
SCHEMBL11529406 0.75 NAALAD2 (0.50) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL2180509 0.72 NAALAD2 (0.48) NAALAD2ALDH1A1KMT2AMEN1CYP1A2

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 3 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
US-4141734-A SUBSTITUTED ORGANIC DI- OR TRISULFIDE ANTIDEPOSIT AGENTS CIBA-GEIBY AG (CH) 1979-02-27 US disclosed