SCHEMBL31717606

SCHEMBL31717606

CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
NPY2R P49146 7/20 0.51
FAAH O00519 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
CYP3A4 P08684 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL31717779 0.95 GAA (0.57) GAANPY2RFAAHRAB9ANPC1
SCHEMBL12745808 0.82 GAA (0.69) GAAFAAHRAB9ANPC1SMN1; SMN2
SCHEMBL31717721 0.82 RAB9A (0.51) GAANPY2RRAB9ANPC1MAPT
SCHEMBL31717596 0.81 SMN1; SMN2 (0.71) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL31717301 0.81 SMN1; SMN2 (0.67) GAANPY2RRAB9ANPC1MAPT
SCHEMBL8845160 0.80 NPC1 (0.74) GAANPY2RFAAHRAB9ANPC1
SCHEMBL3092281 0.80 SMN1; SMN2 (0.74) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL8747418 0.78 RAB9A (0.69) GAANPY2RRAB9ANPC1MAPT
SCHEMBL31717319 0.78 RAB9A (0.75) GAARAB9ANPC1MAPTHTT
SCHEMBL12745800 0.75 RAB9A (0.50) GAANPY2RFAAHRAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224749-A1 ADDITIVE/CATALYST FREE AMINOLYSIS FOR DEPOLYMERIZATION OF REAL-LIFE POLYCARBONATES TO VALUE ADDED PRODUCTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2025-10-30 WO claimed
WO-2025224749-A1 ADDITIVE/CATALYST FREE AMINOLYSIS FOR DEPOLYMERIZATION OF REAL-LIFE POLYCARBONATES TO VALUE ADDED PRODUCTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2025-10-30 WO disclosed