SCHEMBL26489441

SCHEMBL26489441

C=CC(=O)C12CC3CC(C1)CC(C(=O)OCCNS(=O)(=O)C(F)(F)F)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL26489429 0.84 NPSR1 (0.44) NPSR1ALDH1A1RXFP1MEN1MAPT
SCHEMBL9893796 0.84 ALDH1A1 (0.43) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9924177 0.77 ALDH1A1 (0.42) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL19261615 0.75 EPHX1 (0.42) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9925523 0.75 EPHX1 (0.42) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9946445 0.75 EPHX1 (0.42) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9894463 0.72 RECQL (0.44) NPSR1ALDH1A1MAPTKMT2ALMNA
SCHEMBL19796149 0.71 ALDH1A1 (0.46) NPSR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL23843754 0.70 NPSR1 (0.31) NPSR1ALDH1A1
SCHEMBL775846 0.70 TSHR (0.44) ALDH1A1

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
US-20230132653-A1 MOLECULAR RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230132653-A1 MOLECULAR RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed