SCHEMBL22152189

SCHEMBL22152189

CNN1CCOc2ccc(C(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SCN9A Q15858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AOC3 Q16853 1/20 0.33
SCN5A Q14524 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL69983 0.81 TDP1 (0.51) TDP1PTGS1PTGS2TRPV1HTT
SCHEMBL19703433 0.80 MAPT (0.46) MAPTTP53GAAHTT
SCHEMBL15625462 0.78 TDP1 (0.38) TDP1PTGS1PTGS2TRPV1SCN9A
SCHEMBL21725670 0.78 TDP1 (0.38) TDP1PTGS1PTGS2MAPTTP53
SCHEMBL13035770 0.76 PTGER3 (0.42) TDP1PTGS1PTGS2SMN1; SMN2AOC3
SCHEMBL24486502 0.74 PDE3B (0.51) TDP1TP53SMN1; SMN2HTT
SCHEMBL18737439 0.74 NOTUM (0.60) TDP1MAPTTP53
SCHEMBL13085655 0.74 AR (0.42) TDP1
SCHEMBL13085614 0.72 NPY5R (0.39) TDP1
SCHEMBL10224285 0.71 REN (0.44) TDP1MAPTSMN1; SMN2HTT

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
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed