SCHEMBL8174864

SCHEMBL8174864

CC(C)COC(NC(N)=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAD P27708 1/20 0.34
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
CRBN Q96SW2 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10948539 0.90 CAD (0.32) CADTSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL36655 0.77 CAD (0.44) CADALDH1A1NPC1CRBNLMNA
SCHEMBL36698 0.74 CAD (0.38) CADTSHRSMN1; SMN2ALDH1A1CRBN
SCHEMBL36377 0.71 RAB9A (0.42) CADTSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL1757197 0.70
SCHEMBL36898 0.69
SCHEMBL4394723 0.68 TSHR (0.35) TSHRALDH1A1LMNA
SCHEMBL4109967 0.67
SCHEMBL15888573 0.67
SCHEMBL20609509 0.67 TSHR (0.34) TSHRALDH1A1LMNAMAPT

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-6074801-A POLYMER WITH REPEATING UNITS, CROSSLINKING AND ADDING PHOTOACID GENERATOR WITH LIGHT NEC CORPORATION (JP) 2000-06-13 US disclosed