SCHEMBL8947267

SCHEMBL8947267

COC(=O)CNC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 4/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MDM2 Q00987 1/20 0.47
HTT P42858 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL13144463 0.83 MAPK1 (0.62) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL8283407 0.81 TDP1 (0.71) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL8947242 0.80 KMT2A (0.67) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL8432669 0.78 POLB (0.62) KDM4EGAALMNAKMT2AMEN1
SCHEMBL22106531 0.78 NPC1 (0.58) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL8957109 0.77 KDM4E (0.61) KDM4EGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8947318 0.77 KMT2A (0.67) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL8947325 0.77 SMN1; SMN2 (0.57) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL3259703 0.77 KDM4E (0.61) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL10528940 0.76 KDM4E (0.66) KDM4EGAALMNASMN1; SMN2ALDH1A1

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