SCHEMBL8907766

SCHEMBL8907766

CC(C)(C)OC(=O)NCC1CC=CC2CNCC21.CCOC(=O)NCC1CC=CC2CNCC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.32
PTPRB P23467 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 3/20 0.31
CTSL P07711 1/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
ACACA Q13085 2/20 0.30
GAA P10253 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
SCHEMBL8094774 0.93 EPHX1 (0.36) MEN1KMT2AEPHX1CKS1BSKP1
SCHEMBL8084531 0.92 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8908962 0.81 NFKB1 (0.36) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL8083216 0.78 NAMPT (0.38) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL8091180 0.77 CASP1 (0.31)
SCHEMBL8693432 0.73 NFKB1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7851192 0.73 NFKB1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7851194 0.73 NFKB1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7851189 0.73 NFKB1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8693428 0.73 NFKB1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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-0770083-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 1997-05-02 EP disclosed
WO-1996001829-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed