SCHEMBL29216337

SCHEMBL29216337

CC1(C)Oc2ccc(/C=C/C=O)cc2C[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.45
▸ MGAM O43451 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SI P14410 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ XDH P47989 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HIF1A Q16665 5/20 0.38
▸ CYP19A1 P11511 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCNB2 O95067 1/20 0.36

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
SCHEMBL29999195 1.00 PTPN1 (0.45) PTPN1MGAMGAASIACHE
SCHEMBL29999634 0.83 KDM4E (0.49) PTPN1MGAMGAASIACHE
SCHEMBL9633675 0.72 HIF1A (0.52) PTPN1MGAMGAASIACHE
SCHEMBL23746417 0.72 HIF1A (0.52) PTPN1MGAMGAASIACHE
SCHEMBL10431871 0.71 HIF1A (0.49) PTPN1MGAMGAASIACHE
SCHEMBL9634323 0.70 HIF1A (0.49) PTPN1MGAMGAASIACHE
SCHEMBL8616456 0.69 KDM4E (0.48) PTPN1MGAMGAASIACHE
SCHEMBL9634302 0.69 HIF1A (0.52) PTPN1MGAMGAASIACHE
SCHEMBL3310654 0.68 MGAM (0.47) PTPN1MGAMGAASIACHE
SCHEMBL8370012 0.68 MGAM (0.47) PTPN1MGAMGAASIACHE

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-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 — — CN disclosed
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