SCHEMBL29934465

SCHEMBL29934465

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)/C=C/c6ccc(O)cc6)C(C)(CO)C5CCC43C)C2C1(C)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.66
ACHE P22303 1/20 0.62
GYS2 P54840 1/20 0.58
SENP1 Q9P0U3 2/20 0.58
PTPN2 P17706 1/20 0.57
ACP1 P24666 1/20 0.57
EGFR P00533 1/20 0.53
PDE4D Q08499 2/20 0.52
PDE5A O76074 1/20 0.52
PDE9A O76083 1/20 0.52
PDE1B Q01064 1/20 0.52
PLCG1 P19174 2/20 0.49

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
SCHEMBL31510833 0.86 PTPN1 (0.74) PTPN1PTPN2ACP1
SCHEMBL29934649 0.84 ACHE (0.69) PTPN1ACHEGYS2SENP1EGFR
SCHEMBL29649857 0.83 PDE4D (0.73) PTPN1ACHEGYS2SENP1PTPN2
SCHEMBL12181490 0.83 PDE4D (0.73) PTPN1ACHEGYS2SENP1PTPN2
SCHEMBL24433072 0.83 PDE4D (0.73) PTPN1ACHEGYS2SENP1PTPN2
SCHEMBL24433073 0.83 PDE4D (0.73) PTPN1ACHEGYS2SENP1PTPN2
SCHEMBL12181496 0.83 PDE4D (0.73) PTPN1ACHEGYS2SENP1PTPN2
SCHEMBL29649785 0.83 PDE4D (0.73) PTPN1ACHEGYS2SENP1PTPN2
SCHEMBL12181569 0.81 POLB (0.73) PTPN1SENP1PTPN2ACP1EGFR
SCHEMBL31237280 0.81 POLB (0.73) PTPN1SENP1PTPN2ACP1EGFR

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed