SCHEMBL8947122

SCHEMBL8947122

COC(=O)Cn1nnnc1-c1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8947317 0.89 ALDH1A1 (0.57) ALDH1A1TRPV1HPGDMAPK1HSD11B1
SCHEMBL8947269 0.85 TRPV1 (0.43) ALDH1A1PKMTRPV1HPGDMAPK1
SCHEMBL8947240 0.85 ALDH1A1 (0.54) ALDH1A1TRPV1HPGDMAPK1HSD11B1
SCHEMBL8947333 0.85 ALDH1A1 (0.65) ALDH1A1PKMHPGDHSD11B1MAPT
SCHEMBL8947266 0.84 ALDH1A1 (0.48) ALDH1A1PKMTRPV1HPGDTP53
SCHEMBL8947277 0.84 TRPV1 (0.50) ALDH1A1TRPV1HPGDMAPK1HSD11B1
SCHEMBL8947149 0.82 ALDH1A1 (0.51) ALDH1A1TRPV1HPGDMAPK1HSD11B1
SCHEMBL8947311 0.82 ALDH1A1 (0.57) ALDH1A1TRPV1HPGDMAPK1HSD11B1
SCHEMBL8947140 0.82 HSD11B1 (0.59) ALDH1A1TRPV1HPGDHSD11B1HTT
SCHEMBL8947278 0.82 ALDH1A1 (0.70) ALDH1A1TRPV1HPGDMAPK1HSD11B1

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