SCHEMBL22196183

SCHEMBL22196183

CC(C)(O)CCCCC(=O)NCCCCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
TSHR P16473 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
TRPV1 Q8NER1 2/20 0.59
HPGD P15428 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
NCOR2 Q9Y618 2/20 0.57
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
F13A1 P00488 1/20 0.55
NAMPT P43490 2/20 0.55
ALOX5 P09917 1/20 0.55
PKM P14618 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL9644621 0.83 LMNA (0.91) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL23230151 0.83 LMNA (0.91) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL1232766 0.82 HDAC1 (0.83) LMNATSHRL3MBTL1TRPV1HDAC1
SCHEMBL27381884 0.82 HPGD (0.83) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL1231698 0.81 LMNA (0.68) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL14302230 0.80 LMNA (0.85) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL14952381 0.80 LMNA (0.85) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL31035893 0.80 HPGD (0.75) LMNATSHRL3MBTL1TRPV1HPGD
SCHEMBL17117356 0.80 HDAC1 (0.79) LMNATSHRL3MBTL1TRPV1HDAC1
SCHEMBL10113590 0.80 LMNA (0.61) LMNATSHRL3MBTL1TRPV1HPGD

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-20200217011-A1 REINFORCED POLYMER CONCRETE AND METHOD FOR FABRICATING THE SAME WEAV3D, Inc. 2020-07-09 US disclosed