SCHEMBL25527396

SCHEMBL25527396

O=C(CS)OCCOC12CC3CC(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.32
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 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
SCHEMBL25527402 0.82 POLB (0.47) ALDH1A1THRBGAAKMT2ATSHR
SCHEMBL25527392 0.81 PKM (0.44) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL25527401 0.81 L3MBTL1 (0.40) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL20991845 0.79 PKM (0.42) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL14802433 0.77 ALDH1A1 (0.38) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL7748893 0.76 DPP8 (0.47) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL7741665 0.75 ALDH1A1 (0.48) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL12334393 0.74 ALDH1A1 (0.47) PKML3MBTL1ALDH1A1NPSR1GAA
SCHEMBL25455480 0.74 NPSR1 (0.45) ALDH1A1NPSR1THRBGAAEPHX2
SCHEMBL25523762 0.74 NPSR1 (0.45) ALDH1A1NPSR1THRBGAAEPHX2

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-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed