SCHEMBL29934649

SCHEMBL29934649

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)/C=C/c6ccc(O)cc6)C5CCC43C)C2C1(C)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.69
SENP1 Q9P0U3 2/20 0.64
PDE4D Q08499 2/20 0.57
PDE5A O76074 1/20 0.57
PDE9A O76083 1/20 0.57
PDE1B Q01064 1/20 0.57
GYS2 P54840 1/20 0.57
PTPN1 P18031 5/20 0.57
EGFR P00533 1/20 0.56
HSD11B1 P28845 1/20 0.55
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
AKR1B10 O60218 1/20 0.53
GABRA1 P14867 1/20 0.53
AKR1B1 P15121 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53

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
SCHEMBL10014347 0.88 PTPN1 (0.66) PDE4DPDE5APDE9APDE1BPTPN1
SCHEMBL29649785 0.88 PDE4D (0.73) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL12181496 0.88 PDE4D (0.73) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL29649857 0.88 PDE4D (0.73) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL24433073 0.88 PDE4D (0.73) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL24433072 0.88 PDE4D (0.73) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL12181490 0.88 PDE4D (0.73) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL29934465 0.84 PTPN1 (0.66) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL15163880 0.83 PDE4D (0.68) ACHESENP1PDE4DPDE5APDE9A
SCHEMBL15163884 0.83 PDE4D (0.68) ACHESENP1PDE4DPDE5APDE9A

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