SCHEMBL27655604

SCHEMBL27655604

C=C(C)C(=O)OC(=O)CCCCCN

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.50
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 1/20 0.42
PLG P00747 1/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
TSHR P16473 4/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DGKA P23743 1/20 0.33

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
SCHEMBL28439872 1.00 PAOX (0.50) PAOXALDH1A1LMNATHRBMEN1
SCHEMBL28029465 0.92 CYP1A2 (0.48) PAOXALDH1A1LMNATHRBMEN1
SCHEMBL3808863 0.90 TSHR (0.44) ALDH1A1LMNATHRBTSHRDGKA
SCHEMBL5138342 0.88 ALDH1A1 (0.44) ALDH1A1LMNATHRBTSHRDGKA
SCHEMBL28799239 0.84 ALDH1A1 (0.41) PAOXALDH1A1THRBCYP1A2TSHR
SCHEMBL5520287 0.84 TSHR (0.44) ALDH1A1LMNATHRBCYP1A2TSHR
SCHEMBL23494388 0.83 TSHR (0.56) ALDH1A1LMNAMEN1ALOX15KMT2A
SCHEMBL10456017 0.83 TSHR (0.46) ALDH1A1LMNAMEN1ALOX15KMT2A
SCHEMBL3384487 0.83 TSHR (0.56) ALDH1A1LMNAMEN1ALOX15KMT2A
SCHEMBL10455169 0.83 TSHR (0.46) ALDH1A1LMNAMEN1ALOX15KMT2A

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
CN-1823080-A Polymerizable monomers and process of preparation thereof COUNCIL SCIENT INA KES (IN) 2006-08-23 CN disclosed