SCHEMBL21363524

SCHEMBL21363524

O=C(CCCCCCCCCCSSCCCCCCCCCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34)NCCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
HDAC3 O15379 9/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC11 Q96DB2 9/20 0.40
HDAC8 Q9BY41 9/20 0.40
HDAC6 Q9UBN7 9/20 0.40
HDAC7 Q8WUI4 8/20 0.40
HDAC2 Q92769 8/20 0.40
HDAC10 Q969S8 8/20 0.40
HDAC5 Q9UQL6 8/20 0.40
HDAC4 P56524 7/20 0.40
HDAC9 Q9UKV0 7/20 0.40
NCOR2 Q9Y618 4/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21363334 0.87 KDM4E (0.42) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL21363735 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL21363550 0.81 KDM4E (0.46) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL21363354 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL21363333 0.74 KDM4E (0.55) ALDH1A1KDM4EGAAHDAC1HDAC8
SCHEMBL31713799 0.74 MEN1 (0.53) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL11416684 0.72 EP300 (0.60) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL9781616 0.71 ALDH1A1 (0.68) ALDH1A1KDM4EHTTGAAHDAC3
SCHEMBL15743781 0.71 TSHR (0.48) ALDH1A1KDM4EHTTGAAMAPT
SCHEMBL18389705 0.68 PTGS1 (0.41) ALDH1A1KDM4EHTTGAAMAPT

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-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed