SCHEMBL15548368

SCHEMBL15548368

O=C(CCCNC(=O)OCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.78
HDAC1 Q13547 3/20 0.78
HDAC2 Q92769 3/20 0.78
HDAC10 Q969S8 3/20 0.78
HDAC11 Q96DB2 3/20 0.78
HDAC8 Q9BY41 3/20 0.78
HDAC6 Q9UBN7 3/20 0.78
NCOR2 Q9Y618 3/20 0.78
HDAC4 P56524 2/20 0.78
HDAC9 Q9UKV0 2/20 0.78
HDAC7 Q8WUI4 1/20 0.78
HDAC5 Q9UQL6 1/20 0.78
HTT P42858 1/20 0.72
TAAR1 Q96RJ0 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TGM2 P21980 1/20 0.56
TSHR P16473 1/20 0.56
KEAP1 Q14145 2/20 0.55

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
SCHEMBL7820797 0.90 HTT (0.89) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9316550 0.90 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC11
Benzyl Phenethylcarbamate SCHEMBL4287199 0.88 LMNA (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15549811 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL11011091 0.86 HTT (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15549118 0.86 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6044457 0.85 HTT (0.67) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13895513 0.85 HTT (0.74) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17230157 0.85 HTT (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9132655 0.85 HTT (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11

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-2014018913-A2 SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2014-01-30 WO disclosed