SCHEMBL31717596

SCHEMBL31717596

CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)N2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
RAB9A P51151 3/20 0.71
NPC1 O15118 3/20 0.71
MAPT P10636 3/20 0.71
HTT P42858 2/20 0.71
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SRD5A1 P18405 2/20 0.50
LIPE Q05469 2/20 0.50
BCHE P06276 1/20 0.49
TSHR P16473 3/20 0.47
ESR1 P03372 1/20 0.47
CYP3A4 P08684 1/20 0.47
AR P10275 1/20 0.47
HPGD P15428 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL3092281 0.99 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717301 0.97 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717900 0.92 SMN1; SMN2 (0.82) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717669 0.91 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL8747418 0.88 RAB9A (0.69) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717319 0.87 RAB9A (0.75) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717721 0.84 RAB9A (0.51) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717606 0.81 GAA (0.52) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL31717524 0.81 RAB9A (0.83) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL6581443 0.81 MAPT (0.60) SMN1; SMN2RAB9ANPC1MAPTHTT

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