SCHEMBL28406283

SCHEMBL28406283

CCCCC1(C=C(C)C)CC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.41
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 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
SCHEMBL18529897 0.75 CYP19A1 (0.44) CYP19A1TSHRNPSR1KDM4ELMNA
SCHEMBL27941377 0.70 CYP19A1 (0.43) CYP19A1TSHRNPSR1HSD17B10KDM4E
SCHEMBL28169674 0.70 TSHR (0.33) CYP19A1TSHRNPSR1
SCHEMBL28169720 0.70 CYP19A1 (0.35) CYP19A1TSHRNPSR1
SCHEMBL5690991 0.70 CYP19A1 (0.49) CYP19A1TSHRNPSR1HSD17B10KDM4E
SCHEMBL11779837 0.68 TSHR (0.35) CYP19A1TSHRNPSR1
SCHEMBL28170200 0.68 CYP19A1 (0.38) CYP19A1
SCHEMBL28169672 0.68 CYP19A1 (0.38) CYP19A1
SCHEMBL11132247 0.68 CYP19A1 (0.38) CYP19A1
SCHEMBL10575291 0.67 TSHR (0.38) CYP19A1TSHRNPSR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205910-A AB type composite-effect engine lubricating oil composition 辽宁汽众润滑油生产有限公司 2020-05-29 CN claimed