SCHEMBL19936664

SCHEMBL19936664

CCCCCC1(C(=O)OCc2ccccc2)CCC(=O)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.62
CRBN Q96SW2 1/20 0.62
CYP19A1 P11511 13/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL27725502 0.88 DDB1 (0.52) DDB1CRBNCYP19A1MMP2MMP9
SCHEMBL19586342 0.77 CRBN (1.00) DDB1CRBNMMP2MMP9ALDH1A1
SCHEMBL1398152 0.75 CRBN (0.71) DDB1CRBNALDH1A1MAPK1TDP1
SCHEMBL28302324 0.75 DDB1 (0.43) DDB1CRBNALDH1A1CYP3A4TSHR
SCHEMBL16347174 0.74 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1399003 0.74 DDB1 (0.55) DDB1CRBNCYP3A4MAPK1
SCHEMBL16345546 0.73 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16344798 0.73 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16345450 0.73 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL27767596 0.72 CETP (0.47) DDB1CRBNALDH1A1CYP3A4TSHR

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
EP-2943201-B1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES DEUTERX LLC (US) 2018-03-07 EP disclosed