SCHEMBL9937530

SCHEMBL9937530

CCOC(=O)C(C(C)CC)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O.CCOC(=O)C(CC(C)C)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O.CCOC(=O)C(Cc1ccc(O)cc1)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O.CCOC(=O)C(Cc1ccccc1)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 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
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MME P08473 2/20 0.34
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BCL2L2 Q92843 1/20 0.32
BAD Q92934 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL9969500 0.88 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9969257 0.86 PTGS2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9969503 0.85 MME (0.41) MMEMDM2TP53ALDH1A1
SCHEMBL9969499 0.85 CA12 (0.35) MMETYR
SCHEMBL9968843 0.78 CA12 (0.36) MMEALDH1A1TYR
SCHEMBL29394401 0.78 CA12 (0.36) MMEALDH1A1TYR
SCHEMBL16530080 0.78 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9937480 0.77 MME (0.40) MMETYR
SCHEMBL9937977 0.77 MME (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9968846 0.77 POLB (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651886-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'Oréal (FR) 2013-10-23 EP claimed
WO-2012079938-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2012-06-21 WO claimed