SCHEMBL8523876

SCHEMBL8523876

CC1Cc2c3c4c(c(c21)C(=O)OCCOC3=O)CC4

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9281868 0.80
SCHEMBL465430 0.78 ALDH1A1 (0.40) MAOAMAOB
SCHEMBL16470222 0.74 MAOA (0.39) MAOAMAOBSMN1; SMN2
SCHEMBL8469964 0.71 MAOA (0.38) MAOAMAOB
SCHEMBL5590881 0.66 NUAK1 (0.48) MAOAMAOBSMN1; SMN2
SCHEMBL2168078 0.63 CA1 (0.50) MAOAMAOBSMN1; SMN2
SCHEMBL10012774 0.59 MAPK10 (0.35) MAOA
SCHEMBL4608122 0.58 PARP1 (0.39) MAOAMAOB
SCHEMBL16197636 0.57 LMNA (0.47) SMN1; SMN2
SCHEMBL34344 0.57

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
US-5866290-A Toner and developer compositions XEROX CORPORATION (US) 1999-02-02 US disclosed
US-5698422-A Toner and developer compositions XEROX CORPORATION (US) 1997-12-16 US disclosed