SCHEMBL12128359

SCHEMBL12128359

CCC(C)(C)Nc1ccc(C(C)(C)c2ccc(NC(=O)c3cc(O)cc(C(=O)C(C)(C)CC)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.44
▸ HDAC3 O15379 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC8 Q9BY41 3/20 0.38
▸ SNCA P37840 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TRPV1 Q8NER1 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TOP1 P11387 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ TOP2B Q02880 1/20 0.36

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
SCHEMBL16504163 0.88 HDAC3 (0.46) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL14878028 0.84 KMT2A (0.44) NQO2SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13213695 0.83 HDAC3 (0.47) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL13283420 0.79 HPSE (0.41) MAPTNR1H4HDAC1HDAC2
SCHEMBL22920719 0.77 PGR (0.48) SMN1; SMN2MAPTTP53TRPV1NPC1
SCHEMBL13924222 0.76 AR (0.41) HDAC3HDAC6HDAC8HDAC11TP53
SCHEMBL13866520 0.75 NAMPT (0.37) HDAC3HDAC6HDAC8TP53RAB9A
SCHEMBL13283327 0.74 PTGS1 (0.50) NQO2HDAC3HDAC6HDAC8HDAC11
SCHEMBL24169215 0.73 HDAC3 (0.48) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL12355630 0.73 HDAC2 (0.57) HDAC3HDAC6HDAC8SMN1; SMN2MAPT

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
US-8304508-B2 Fluorine-containing dicarboxylic acids and their novel polymer compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-06 — — US disclosed
US-20110282026-A1 Fluorine-Containing Dicarboxylic Acids and Their Novel Polymer Compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2011-11-17 — — US disclosed
Send feedback