SCHEMBL8947133

SCHEMBL8947133

COC(=O)CNC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
GAA P10253 2/20 0.62
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.47
TNFRSF1A P19438 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
VCAM1 P19320 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8947077 0.86 GAA (0.59) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL8606733 0.82 KMT2A (0.49) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL4783009 0.81 ALDH1A1 (0.49) KDM4EGAAKMT2AMEN1TSHR
SCHEMBL8947318 0.81 KMT2A (0.67) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL8608296 0.80 TNFRSF1A (0.41) KDM4EGAAKMT2AMEN1HSD17B10
SCHEMBL8608298 0.80 MEN1 (0.54) KMT2AMEN1SMN1; SMN2MAPK1ALOX5
SCHEMBL5677096 0.76 TNFRSF1A (0.51) KDM4EGAATSHRTNFRSF1AALDH1A1
SCHEMBL8947267 0.75 KDM4E (0.67) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL8607619 0.75 KMT2A (0.45) KMT2AMEN1SMN1; SMN2TSHRMAPK1
SCHEMBL3637333 0.74 TNFRSF1A (0.56) TNFRSF1APKMPTGS2EPHX2NR1H4

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-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed