SCHEMBL11077170

SCHEMBL11077170

CC1(C)OC(=O)C(Cn2cncn2)(c2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 5/20 0.39
PKM P14618 1/20 0.35
HSP90AA1 P07900 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADK P55263 1/20 0.32

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
SCHEMBL11066907 0.88 CYP3A4 (0.39) HSP90AA1MEN1KMT2ANPSR1KDM4E
SCHEMBL10737049 0.88 HSP90AA1 (0.34) CYP19A1HSP90AA1NPSR1
SCHEMBL11072260 0.77 CYP3A4 (0.50) PKMHSP90AA1MEN1KMT2AKDM4E
SCHEMBL9312632 0.74 CYP19A1 (0.46) GAAHSD17B10CYP19A1HSP90AA1MEN1
SCHEMBL11069992 0.74 CYP3A4 (0.40) CYP19A1HSP90AA1MEN1KMT2ANPSR1
SCHEMBL29097003 0.71 HCAR3 (0.40) HSD17B10KMT2ANPSR1LMNAALDH1A1
SCHEMBL10495593 0.68 GAA (0.45) GAAHSD17B10CYP19A1HSP90AA1NPSR1
SCHEMBL16471270 0.68 GAA (0.53) GAAHSD17B10CYP19A1HSP90AA1MEN1
SCHEMBL16471271 0.68 GAA (0.53) GAAHSD17B10CYP19A1HSP90AA1MEN1
SCHEMBL9187555 0.68 GAA (0.53) GAAHSD17B10CYP19A1HSP90AA1MEN1

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-4384879-A PLANTS, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
EP-0044276-A2 4-(1H-azolylmethyl)-1,3-dioxolan-5-one derivatives, their preparation and use as plant growth regulators and/or pesticides CIBA-GEIGY AG (CH) 1982-01-20 EP claimed
US-4447625-A 1,3-Dioxolan-5-one derivatives CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4384879-A PLANTS, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
EP-0044276-A2 4-(1H-azolylmethyl)-1,3-dioxolan-5-one derivatives, their preparation and use as plant growth regulators and/or pesticides CIBA-GEIGY AG (CH) 1982-01-20 EP disclosed