SCHEMBL9901469

SCHEMBL9901469

CCCCCCCCCC(=O)Nc1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.67
SOAT1 P35610 2/20 0.65
EP300 Q09472 1/20 0.59
HDAC3 O15379 5/20 0.57
HDAC1 Q13547 5/20 0.57
HDAC2 Q92769 5/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC4 P56524 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
NCOR2 Q9Y618 2/20 0.55
P2RX7 Q99572 1/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL9395051 0.89 CETP (0.77) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL5878480 0.89 CETP (0.77) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL15480414 0.87 HDAC1 (0.69) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL28063097 0.87 MAPK1 (0.67) TSHRLMNARAB9A
SCHEMBL16010983 0.86 LMNA (0.60) SOAT1HDAC3HDAC1HDAC2HDAC10
SCHEMBL16010908 0.83 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL5968938 0.83 HDAC3 (0.74) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL1161259 0.83 EP300 (0.69) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL3155514 0.83 EP300 (0.69) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL1133527 0.83 EP300 (0.69) CETPSOAT1EP300HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130320269-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE THE UNIVERSITY OF MANCHESTER (GB) 2013-12-05 US disclosed
EP-2649073-A2 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE The University Of Manchester (GB) 2013-10-16 EP disclosed
WO-2012076886-A2 NOVEL PROCESS AND COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2012-06-14 WO disclosed
WO-2012076886-A2 NOVEL PROCESS AND COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2012-06-14 WO disclosed