SCHEMBL25527407

SCHEMBL25527407

O=C(O)CC(OC(=O)CS)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.33
IDO1 P14902 1/20 0.33
EPHX1 P07099 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR1 O14842 1/20 0.31
METAP2 P50579 2/20 0.30
METAP1 P53582 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
SCHEMBL25527410 0.98 ALDH1A1 (0.42) ALDH1A1LMNAIDO1EPHX1L3MBTL1
SCHEMBL25527278 0.87 ALDH1A1 (0.42) ALDH1A1LMNAIDO1EPHX1L3MBTL1
SCHEMBL25527279 0.87 ALDH1A1 (0.42) ALDH1A1LMNAIDO1EPHX1L3MBTL1
SCHEMBL25527281 0.85 ALDH1A1 (0.40) ALDH1A1LMNAIDO1EPHX1L3MBTL1
SCHEMBL25946700 0.83 ALDH1A1 (0.45) ALDH1A1LMNAIDO1EPHX1L3MBTL1
SCHEMBL25946695 0.81 ALDH1A1 (0.42) ALDH1A1LMNAIDO1L3MBTL1CASP3
SCHEMBL25946896 0.75 ALDH1A1 (0.44) ALDH1A1LMNAIDO1EPHX1L3MBTL1
SCHEMBL25946898 0.73 ALDH1A1 (0.41) ALDH1A1CASP3SMN1; SMN2FFAR1
SCHEMBL25527456 0.73 FFAR1 (0.32) FFAR1
SCHEMBL27998859 0.72 ALDH1A1 (0.47) ALDH1A1LMNAEPHX1L3MBTL1SMN1; SMN2

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