SCHEMBL28980673

SCHEMBL28980673

COC(=O)C1(C)CCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FFAR3 O14843 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3341865 0.79 MEN1 (0.48) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL28710888 0.76 MEN1 (0.50) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL10729658 0.75 NPSR1 (0.40) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL19766896 0.75 MEN1 (0.38) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL25616533 0.73 FFAR3 (0.50) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL25616531 0.73 FFAR3 (0.50) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL8175853 0.73 FFAR3 (0.50) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL283125 0.73
SCHEMBL29202948 0.72 MEN1 (0.36) MEN1KMT2ANPSR1LMNACYP3A4
SCHEMBL19226274 0.70 MEN1 (0.35) MEN1KMT2ANPSR1LMNACYP4F2

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-115902019-A Method for detecting content of cyclobutane tetracarboxylate 广东聚石科技研究院有限公司 2023-04-04 CN disclosed