SCHEMBL26528173

SCHEMBL26528173

CC(C)[C@H](NOC(=O)c1ccccc1)C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
CTSK P43235 5/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
CTSS P25774 1/20 0.42

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
SCHEMBL18929641 0.83 PPARA (0.55) CXCR3ALDH1A1TSHRPPARGPPARA
SCHEMBL25983837 0.83 MEN1 (0.50) ALDH1A1TSHRPPARGPPARAPPARD
SCHEMBL8239220 0.81 ALDH1A1 (0.57) ALDH1A1TSHRPPARGPPARAPPARD
SCHEMBL346337 0.81 ALDH1A1 (0.57) ALDH1A1TSHRPPARGPPARAPPARD
SCHEMBL15625987 0.79 CTSK (0.55) CXCR3ALDH1A1TSHRPPARGPPARA
SCHEMBL22692661 0.79 CXCR3 (0.49) CXCR3ALDH1A1TSHRPPARGPPARA
SCHEMBL26528054 0.78 CPB2 (0.43)
SCHEMBL16572101 0.77 ALDH1A1 (0.52) CXCR3ALDH1A1TSHRPPARGPPARA
SCHEMBL2101708 0.77 PPARG (0.59) ALDH1A1TSHRPPARGPPARAPPARD
SCHEMBL6862461 0.76 NPSR1 (0.54) ALDH1A1TSHRMEN1KMT2AATM

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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 EP disclosed