SCHEMBL29934316

SCHEMBL29934316

CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.80
PDE5A O76074 1/20 0.80
PDE9A O76083 1/20 0.80
PDE1B Q01064 1/20 0.80
POLB P06746 2/20 0.74
HSD11B1 P28845 2/20 0.67
PYGM P11217 1/20 0.67
PTPN2 P17706 1/20 0.67
PTPN1 P18031 1/20 0.67
PTPN6 P29350 1/20 0.67
HTT P42858 1/20 0.67
GPBAR1 Q8TDU6 1/20 0.67
USP7 Q93009 1/20 0.67
EGFR P00533 1/20 0.64
PLCG1 P19174 2/20 0.61
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
AKR1B10 O60218 1/20 0.59
GABRA1 P14867 1/20 0.59
AKR1B1 P15121 1/20 0.59

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
SCHEMBL13487369 1.00 PDE4D (0.80) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL13487370 1.00 PDE4D (0.80) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL25038978 0.92 GABRP (0.69) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL25038979 0.92 GABRP (0.69) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL25038975 0.92 GABRP (0.69) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL7163156 0.91 EGFR (0.67) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL29386542 0.91 EGFR (0.67) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL13487367 0.90 POLB (0.68) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL13637888 0.90 POLB (0.68) PDE4DPDE5APDE9APDE1BPOLB
SCHEMBL24433072 0.89 PDE4D (0.73) PDE4DPDE5APDE9APDE1BPOLB

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