SCHEMBL9477697

SCHEMBL9477697

COC(=O)CNC(=O)C(C)(C)CS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.47
RECQL P46063 1/20 0.45
TSHR P16473 5/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
EPHX2 P34913 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
BIRC2 Q13490 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL31087129 0.81 ALDH1A1 (0.42) HSD17B10ALDH1A1LMNACYP2C19
SCHEMBL19112483 0.81 TET2 (0.48) TET2RECQLTSHRHSD17B10GAA
SCHEMBL928308 0.78 RIPK1 (0.33) HSD17B10LMNACYP2C19
SCHEMBL12388730 0.78 TET2 (0.54) TET2RECQLTSHRHSD17B10GAA
SCHEMBL931019 0.74 POLB (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13448448 0.72 TET2 (0.48) TET2RECQLTSHRHSD17B10GAA
SCHEMBL2871996 0.72 CNR1 (0.44) HSD17B10KDM4ECA14ALDH1A1MEN1
SCHEMBL13444980 0.71 RECQL (0.61) TET2RECQLTSHRHSD17B10GAA
SCHEMBL14440671 0.71 TET2 (0.52) TET2RECQLTSHRHSD17B10GAA
SCHEMBL10266048 0.71 TET2 (0.47) TET2RECQLTSHRHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266713-A Aryl alkenoic acid derivatives as leukotriene antagonists MILES INC. (US) 1993-11-30 US disclosed
EP-0410241-B1 Aryl alkenoic acid derivatives as leukotriene antagonists BAYER AG (DE) 1993-10-20 EP disclosed
EP-0410241-A1 Aryl alkenoic acid derivatives as leukotriene antagonists BAYER AG (DE) 1991-01-30 EP disclosed