SCHEMBL8947266

SCHEMBL8947266

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL8947235 0.88 ALDH1A1 (0.59) ALDH1A1HPGDLMNATP53HTT
SCHEMBL8947317 0.86 ALDH1A1 (0.57) ALDH1A1HPGDLMNAHTTPOLB
SCHEMBL8947118 0.86 KDM4E (0.42) ALDH1A1HPGDTP53SMN1; SMN2TRPV1
SCHEMBL8947122 0.84 ALDH1A1 (0.47) ALDH1A1HPGDTP53HTTPOLB
SCHEMBL8947184 0.83 LMNA (0.48) ALDH1A1HPGDLMNATP53HTT
SCHEMBL8947140 0.83 HSD11B1 (0.59) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL8947240 0.82 ALDH1A1 (0.54) ALDH1A1HPGDPOLBSMN1; SMN2TRPV1
SCHEMBL8947277 0.82 TRPV1 (0.50) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL8947295 0.81 TSHR (0.61) ALDH1A1HPGDLMNATP53POLB
SCHEMBL8947149 0.80 ALDH1A1 (0.51) ALDH1A1HPGDLMNAHTTPOLB

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
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
EP-0379915-A1 Substituted phenoxybenzonitrile derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1990-08-01 EP disclosed