SCHEMBL31430102

SCHEMBL31430102

CCC(CC(=O)O)C(Br)(CC)C(=O)O.CCC(CC(=O)O)C(Br)(CC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9714801 0.77 FFAR4 (0.42) SLC22A6MEN1ALDH1A1KMT2ATDP1
SCHEMBL755454 0.76 LCK (0.35) ALDH1A1
SCHEMBL17669538 0.74 LCK (0.42) ALDH1A1
SCHEMBL5024754 0.73 CPT2 (0.36) SLC22A6MEN1ALDH1A1CYP1A2THRB
SCHEMBL1024524 0.72
SCHEMBL17822467 0.72
SCHEMBL1733291 0.72 CYP1A2 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1732885 0.72 CYP1A2 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1000119 0.72 CYP1A2 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL14261124 0.72 SLC22A6 (0.38) SLC22A6TDP1

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
CN-119698423-A Novel compound and MRI contrast agent comprising same 泰瑞诺科有限公司 2025-03-25 CN disclosed