SCHEMBL29243744

SCHEMBL29243744

COC1(N)CCC(C(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL30630611 0.78 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL30630508 0.77
SCHEMBL6360972 0.77
SCHEMBL3824566 0.76 MMP1 (0.32)
SCHEMBL28019093 0.76 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL21075245 0.75 ALDH1A1 (0.60) ALDH1A1TDP1
SCHEMBL1814156 0.71 NPSR1 (0.32) TDP1
SCHEMBL1814154 0.71 NPSR1 (0.32) TDP1
SCHEMBL1809492 0.71 NPSR1 (0.32) TDP1
Hydrochloric Acid SCHEMBL1812451 0.70 NPSR1 (0.31) TDP1

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
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed