SCHEMBL28898535

SCHEMBL28898535

CC(C)(C)C(Oc1c(Cl)cnn(C(F)C(F)F)c1=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.37
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28960015 0.83 ITGB1 (0.31) SMN1; SMN2
SCHEMBL28500536 0.79 ALDH1A1 (0.42) NPBWR1ALDH1A1HPGDNPC1MITF
SCHEMBL28898520 0.68 HTT (0.42) GAAALDH1A1NPC1MITFHTT
SCHEMBL28509663 0.64 ALDH1A1 (0.43) NPBWR1GAAALDH1A1HPGDNPC1
SCHEMBL29452092 0.62 HTT (0.42) GAAALDH1A1HPGDNPC1MITF
SCHEMBL29451526 0.59 ALDH1A1 (0.44) ALDH1A1HPGDNPC1MITFHTT
SCHEMBL29451369 0.59 ALDH1A1 (0.44) ALDH1A1HPGDNPC1MITFHTT
SCHEMBL29451492 0.59 ALDH1A1 (0.44) ALDH1A1HPGDNPC1MITFHTT
SCHEMBL25418672 0.58 HCAR2 (0.36)
SCHEMBL29451464 0.58 ALDH1A1 (0.46) NPBWR1GAAALDH1A1HPGDNPC1

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-115947681-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-04-11 CN disclosed
CN-109641844-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-01 CN disclosed