SCHEMBL9304813

SCHEMBL9304813

CCOC(=O)C1CCc2ccccc2N1N=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MTNR1A P48039 2/20 0.43
ACE P12821 1/20 0.41
NR1D1 P20393 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL433888 0.83 MTNR1A (0.54) NOTUMALDH1A1MTNR1AACENR1D1
SCHEMBL11392205 0.82 NOTUM (0.48) NOTUMALDH1A1MTNR1AACENR1D1
SCHEMBL10246732 0.82 NOTUM (0.48) NOTUMALDH1A1MTNR1AACENR1D1
SCHEMBL11622288 0.80 NOTUM (0.47) NOTUMALDH1A1MTNR1AKDM4ELMNA
SCHEMBL8552879 0.80 ALDH1A1 (0.42) NOTUMALDH1A1MTNR1AACEKDM4E
SCHEMBL428369 0.78 MTNR1A (0.58) NOTUMALDH1A1MTNR1AACE
SCHEMBL7435800 0.74 NR1D1 (0.51) ALDH1A1MTNR1ANR1D1KDM4ELMNA
SCHEMBL11624878 0.72 NOTUM (0.43) NOTUMALDH1A1KDM4ELMNAGAA
SCHEMBL23343522 0.71 NR1D1 (0.50) NOTUMNR1D1
SCHEMBL4959583 0.71 NR1D1 (0.50) NOTUMNR1D1

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-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed