SCHEMBL9638796

SCHEMBL9638796

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(OC(c2ccccc2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
MAOB P27338 1/20 0.55
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 4/20 0.47
EPHX2 P34913 1/20 0.46
KCNA3 P22001 1/20 0.46
CCR5 P51681 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
BTK Q06187 2/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NAMPT P43490 1/20 0.41
IDO1 P14902 1/20 0.41
MAPK8 P45983 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9638841 1.00 KDM1A (0.55) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL28905492 0.82 KDM1A (0.57) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL15270279 0.80 KDM1A (0.55) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL16456019 0.79 KDM1A (0.54) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL16456010 0.79 KDM1A (0.54) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL16444843 0.78 KDM1A (0.53) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL16444841 0.78 KDM1A (0.53) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL15289089 0.78 KDM1A (0.53) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL24512916 0.77 KDM1A (0.61) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL24011514 0.77 KDM1A (0.61) KDM1AMAOBKMT2AL3MBTL1DRD2

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-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 US disclosed