SCHEMBL25475255

SCHEMBL25475255

O=C(CCS)OCCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
GLA P06280 1/20 0.45
HRH3 Q9Y5N1 6/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL25475211 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL25475311 0.87 KDM4E (0.50) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL13601522 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL11024196 0.81 KDM4E (0.50) ALDH1A1KDM4EGAAPKMHRH3
SCHEMBL13265466 0.81 HRH3 (0.54) ALDH1A1KDM4EGAAPKMHRH3
SCHEMBL561431 0.81 SMN1; SMN2 (0.52) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL17092565 0.79 GLA (0.50) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL13601424 0.79 HRH3 (0.53) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL12842162 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL16845053 0.78 KDM4E (0.54) ALDH1A1KDM4EGAAPKMGLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed