SCHEMBL26192578

SCHEMBL26192578

C=C(C)C(=O)SCc1ccc(SC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
SLC6A4 P31645 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
PLK1 P53350 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TBXA2R P21731 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL713087 0.89 NOS1 (0.41) KMT2A
SCHEMBL19274484 0.82 SLC6A4 (0.42) ACACBSLC6A4MEN1KMT2AKDM4E
SCHEMBL331133 0.80 IDO1 (0.47) ALDH1A1
SCHEMBL27472188 0.77 NOS1 (0.31)
SCHEMBL27460812 0.76 SLC6A4 (0.50) SLC6A4MEN1KMT2ASMN1; SMN2MMP12
SCHEMBL1801901 0.75 SLC11A2 (0.47) SMN1; SMN2
SCHEMBL1130779 0.74 CYP2C19 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1
Methacrylic Acid SCHEMBL331458 0.73 PLK1 (0.47) MEN1KMT2AKDM4EATMSMN1; SMN2
SCHEMBL27460815 0.72 SLC6A4 (0.37) SLC6A4MEN1KMT2AKDM4EATM
SCHEMBL27460831 0.71 HPGD (0.44) ACACBMEN1KMT2ASMN1; SMN2PLK1

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
WO-2023162777-A1 COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, DIFFRACTION OPTICAL ELEMENT, AND AUGMENTED REALITY GLASSES 富士フイルム株式会社 2023-08-31 WO disclosed