SCHEMBL4915642

SCHEMBL4915642

COC(=O)CN(CCCCC(=O)NC(CO)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ CERT1 Q9Y5P4 3/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ GPR88 Q9GZN0 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7615687 0.82 KIF11 (0.45) GAAKMT2AALDH1A1CNR2KIF11
SCHEMBL4919160 0.81 GAA (0.36) GAAKMT2AALDH1A1HDAC6
SCHEMBL4915631 0.81 POLB (0.38) GAAKMT2AALDH1A1HDAC6CERT1
SCHEMBL6516358 0.79 HDAC1 (0.46) GAAKMT2AALDH1A1HDAC6HDAC1
SCHEMBL4919165 0.76 GAA (0.35) GAAKMT2AALDH1A1HDAC6
SCHEMBL4920317 0.75 CNR2 (0.39) KMT2ACERT1CNR2CNR1L3MBTL1
SCHEMBL7616339 0.74 MEN1 (0.44) GAAKMT2AALDH1A1KIF11LMNA
SCHEMBL14946793 0.72 KIF11 (0.41) ALDH1A1KIF11HDAC1HDAC2
SCHEMBL24383374 0.71 KMT2A (0.43) KMT2AALDH1A1HDAC6
SCHEMBL31606446 0.71 GAA (0.45) GAAKMT2AALDH1A1HDAC6HTR1A

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-20080269065-A1 Conformationally Constrained Analytical Probes SYNTRIX BIOSYSTEMS, INC. (US) 2008-10-30 — — US disclosed
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