SCHEMBL9316627

SCHEMBL9316627

CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc(C(=O)[O-])cc1.[Pb+2]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
SRD5A2 P31213 1/20 0.55
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
SIRT1 Q96EB6 1/20 0.48
CA1 P00915 8/20 0.48
CA2 P00918 8/20 0.48
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL4961531 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
SCHEMBL4957711 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
Zinc Ion SCHEMBL205290 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
Lithium Ion SCHEMBL2778032 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
SCHEMBL9269549 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
Potassium Ion SCHEMBL5888927 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
SCHEMBL226823 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
SCHEMBL9120608 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
SCHEMBL4959131 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT
SCHEMBL8745115 0.95 HDAC1 (0.57) HDAC1SRD5A2MEN1ALDH1A1HTT

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-5354514-A Heating mixture of thioamide compound and copper- or lead-containing compound JUJO PAPER CO., LTD. (JP) 1994-10-11 US disclosed