SCHEMBL29487596

SCHEMBL29487596

CCCCC(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)(C(=O)OC1CCC(C)(C)N(C)C1(C)C)C(=O)OC1CCC(C)(C)N(C)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34

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
SCHEMBL38993 1.00 ALDH1A1 (0.35) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL3623376 0.96 ALDH1A1 (0.33) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL27848273 0.90 ALDH1A1 (0.33) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL5273378 0.89
SCHEMBL193901 0.88 GAA (0.36) ALDH1A1GAAMAPK1HTTNPSR1
SCHEMBL7918950 0.87 TACR1 (0.34)
SCHEMBL28530376 0.86 NR5A2 (0.36) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL991865 0.84 NR5A2 (0.36) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL3632901 0.83 GAA (0.34) ALDH1A1GAAMAPK1HTTNPSR1
SCHEMBL16305038 0.83 GAA (0.33) GAAHTT

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-114207036-A Polyphenylene sulfide/polyamide composition 巴斯夫欧洲公司 2022-03-18 CN disclosed