SCHEMBL28050394

SCHEMBL28050394

CC1=CC(=O)C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)C(O)CC[C@@H]34)[C@@]12C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
SHBG P04278 5/20 0.57
HSD17B10 Q99714 5/20 0.57
GPBAR1 Q8TDU6 5/20 0.57
SERPINA6 P08185 4/20 0.57
CYP3A4 P08684 4/20 0.57
NR3C1 P04150 3/20 0.57
PGR P06401 3/20 0.57
AR P10275 3/20 0.57
NR3C2 P08235 1/20 0.57
MGAM O43451 1/20 0.57
LMNA P02545 5/20 0.51
TSHR P16473 3/20 0.51
SNCA P37840 2/20 0.51
CACNA1C Q13936 2/20 0.51
CYP51A1 Q16850 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
OR51E2 Q9H255 1/20 0.51

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
SCHEMBL1650440 1.00 CYP19A1 (0.57) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
SCHEMBL4442662 1.00 CYP19A1 (0.57) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
SCHEMBL21807748 1.00 CYP19A1 (0.57) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
SCHEMBL147012 1.00 CYP19A1 (0.57) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
Acetic Acid SCHEMBL333358 0.95 CYP19A1 (0.53) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
Heptanoate SCHEMBL636017 0.87 CYP19A1 (0.45) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
Nandrolone SCHEMBL3988236 0.86 SERPINA6 (0.71) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
Androstenedione SCHEMBL15848169 0.84 LMNA (0.67) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
SCHEMBL439850 0.84 SHBG (0.49) CYP19A1SHBGHSD17B10GPBAR1SERPINA6
SCHEMBL7083462 0.82 SHBG (0.38) CYP19A1SHBGHSD17B10GPBAR1SERPINA6

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
CN-112400872-A Method for preventing and controlling bactrocera dorsalis in disorientation manner, disorientation distributor, disorientation preparation and application 中国农业科学院郑州果树研究所 2021-02-26 CN claimed
CN-113061070-A Deuterium-labeled metinuron stable isotope labeled compound 阿尔塔(天津)标准物质研究院有限公司 2021-07-02 CN disclosed
CN-112400872-A Method for preventing and controlling bactrocera dorsalis in disorientation manner, disorientation distributor, disorientation preparation and application 中国农业科学院郑州果树研究所 2021-02-26 CN disclosed
CN-105613528-A Pesticide for controlling Euaresta aequalis YANTAI SHUNLONG CHEMICAL TECH CO LTD 2016-06-01 CN disclosed