SCHEMBL9283293

SCHEMBL9283293

C=C(CCNC(=S)CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14468542 0.79 PLA2G2A (0.44) ALDH1A1ALDH2KDM4E
SCHEMBL4939278 0.75 ADRA1A (0.47) ALOX15HSD17B10ALDH1A1TET2KDM4E
SCHEMBL8550074 0.74 EPHX1 (0.48) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8549199 0.72 KEAP1 (0.37) ALOX15HSD17B10TET2KMT2A
SCHEMBL1840501 0.72 TGFBR1 (0.37) ALOX15HSD17B10ALDH1A1TET2KDM4E
SCHEMBL6253985 0.72 HDAC3 (0.42) KMT2A
SCHEMBL2190702 0.71 GRIK1 (0.35) ALOX15HSD17B10TET2TDP1
SCHEMBL636745 0.71 ALOX15 (0.35) ALOX15HSD17B10TET2MEN1KMT2A
SCHEMBL4596397 0.71 ECE1 (0.39) ALOX15HSD17B10ALDH1A1TET2MEN1
SCHEMBL336883 0.70

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
EP-0379462-B1 Vinylic macromers containing perfluoropolyalkylether and polyalkylether segments, polymers, copolymers and ophthalmic devices made therefrom CIBA GEIGY AG (CH) 1995-02-22 EP claimed