SCHEMBL6689586

SCHEMBL6689586

CN(C)c1ccc(C(=O)O)cc1CCCCCCC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RARB P10826 4/20 0.35
MEN1 O00255 1/20 0.35
RARA P10276 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
BID P55957 3/20 0.35
BCL2L1 Q07817 3/20 0.35
MCL1 Q07820 3/20 0.35
BAK1 Q16611 3/20 0.35
MMP2 P08253 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL10299488 0.77 HCAR3 (0.54) HCAR3MAPTALDH1A1GAAMAPK1
SCHEMBL9098592 0.72 RARB (0.58) MAPTALDH1A1RARBMEN1RARA
SCHEMBL10612162 0.72 RARB (0.58) MAPTALDH1A1RARBMEN1RARA
SCHEMBL28052477 0.72 ATP4A (0.38) MAPTALDH1A1GAA
SCHEMBL4190239 0.71 FOLH1 (0.51)
SCHEMBL11368208 0.71 TSHR (0.49) MAPTALDH1A1
SCHEMBL10382307 0.71 F13A1 (0.39) MAPTBIDBCL2L1MCL1BAK1
SCHEMBL19980149 0.70 CYP3A4 (0.35) ALDH1A1GAA
SCHEMBL28986439 0.69 ATP4A (0.38) MAPTALDH1A1GAA
SCHEMBL14118067 0.68 RARB (0.57) MAPTALDH1A1RARBMEN1RARA

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
WO-2004104051-A1 BIMOLECULAR PHOTOINITIATOR SYSTEMS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-02 WO disclosed