SCHEMBL11683093

SCHEMBL11683093

CC(=O)NC(C)(C)C(O)=S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
ELANE P08246 1/20 0.36
TAS2R38 P59533 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
NFKB1 P19838 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL3915045 0.81 EPHX1 (0.46) EPHX1ELANETAS2R38MEN1KMT2A
SCHEMBL6471708 0.78 KDM4C (0.46) EPHX1ELANEKDM4ECA2PTGS1
SCHEMBL9913287 0.77 EPHX1 (0.40) EPHX1ELANEKDM4ECA2PTGS1
SCHEMBL3888653 0.77 EPHX1 (0.33) EPHX1TAS2R38MEN1KMT2ACA2
SCHEMBL11683699 0.77 EPHX1 (0.39) EPHX1TAS2R38MEN1KMT2ANFKB1
SCHEMBL11686026 0.77 EPHX1 (0.39) EPHX1TAS2R38MEN1KMT2ANFKB1
SCHEMBL10363714 0.75 EPHX1 (0.41) EPHX1TAS2R38MEN1KMT2APTGS1
SCHEMBL20295137 0.73 GAA (0.39) MEN1KMT2ACA2ALDH1A1
SCHEMBL8471567 0.70 CRBN (0.39) EPHX1ELANETAS2R38KMT2AKDM4E
SCHEMBL11683952 0.70 EPHX1 (0.36) EPHX1ELANEKDM4ECA2PTGS1

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-4002682-A CHEMICAL INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1977-01-11 US disclosed
US-3952044-A INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-04-20 US disclosed