SCHEMBL1471178

SCHEMBL1471178

COCCOCCOCCOCCCCCCCCCCCSC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 2/20 0.38
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CES2 O00748 2/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 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
SCHEMBL29518923 1.00 ALDH1A1 (0.38) ALDH1A1EPHX2HDAC4HDAC1HDAC6
SCHEMBL30917919 0.90 CES2 (0.42) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL28018095 0.86 ALDH1A1 (0.45) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL29518865 0.85 MEN1 (0.52) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL1469721 0.85 MEN1 (0.52) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL30372269 0.85 MEN1 (0.52) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL6001508 0.84 CYP2C19 (0.40) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL26430809 0.84 CYP2C19 (0.40) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL5854800 0.84 CYP2C19 (0.40) ALDH1A1HDAC4HDAC1HDAC6HDAC3
SCHEMBL26430803 0.84 CYP2C19 (0.40) ALDH1A1HDAC4HDAC1HDAC6HDAC3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112040926-B Covalent treatment of keratin-containing materials with thiols 生活实验公司 2024-07-02 CN disclosed
US-20110070659-A1 SAMPLE PRESENTATION DEVICE QIAGEN SCIENCES, INC. (DE) 2011-03-24 US disclosed
US-20110070659-A1 SAMPLE PRESENTATION DEVICE QIAGEN SCIENCES, INC. (DE) 2011-03-24 US disclosed
US-20110070659-A1 SAMPLE PRESENTATION DEVICE QIAGEN SCIENCES, INC. (DE) 2011-03-24 US disclosed
US-20080248589-A1 Sample Presentation Device LUMICYTE, INC. 2008-10-09 US disclosed
US-20080248589-A1 Sample Presentation Device LUMICYTE, INC. 2008-10-09 US disclosed
US-20080248589-A1 Sample Presentation Device LUMICYTE, INC. 2008-10-09 US disclosed
US-20050164402-A1 Sample presentation device QLAGEN SCIENCES, INC. (DE) 2005-07-28 US disclosed