SCHEMBL8947287

SCHEMBL8947287

COC(=O)CNC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.76
MEN1 O00255 1/20 0.76
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 1/20 0.61
NR1H4 Q96RI1 1/20 0.61
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
GAA P10253 1/20 0.59
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.57
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL17204573 0.90 TP53 (0.71) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL15595269 0.88 KMT2A (0.78) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL13039963 0.88 KMT2A (0.69) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL29802080 0.88 KMT2A (0.78) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL17038574 0.87 KMT2A (0.64) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL8178988 0.87 PDE4A (0.71) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL15595277 0.87 KMT2A (0.68) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL17204605 0.86 SMPD1 (0.67) KMT2AMEN1TP53PDE4APDE4B
SCHEMBL28336482 0.84 KMT2A (0.57) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL28333735 0.84 PDE4B (0.69) KMT2AMEN1TP53SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085429-B Aromatic heterocyclic derivative and application thereof in medicines 广东东阳光药业有限公司 2019-12-10 CN disclosed
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