SCHEMBL18535909

SCHEMBL18535909

CC(C)(C)C(=O)c1ccc(C(C)(C)I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
SRD5A2 P31213 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MLYCD O95822 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL10031827 0.83 PGR (0.47) HDAC1SRD5A2PGRARALDH1A1
SCHEMBL5927848 0.82 HDAC1 (0.59) HDAC1SRD5A2MEN1KMT2AMAPT
SCHEMBL547696 0.80 HDAC1 (0.42) HDAC1SRD5A2PGRARMEN1
SCHEMBL8242096 0.78 CES1 (0.45) HDAC1SRD5A2PGRARCES2
SCHEMBL8235165 0.78 CES2 (0.61) SRD5A2MEN1KMT2ACES2CES1
SCHEMBL24354428 0.77 TPMT (0.52) PGRARCA2ELANE
SCHEMBL10587459 0.77 PGR (0.41) HDAC1SRD5A2PGRARMEN1
SCHEMBL16513072 0.77 HDAC2 (0.57) HDAC1HTTRAB9APOLBSMN1; SMN2
SCHEMBL11852341 0.77 SRD5A2 (0.42) HDAC1SRD5A2PGRARMEN1
SCHEMBL5058744 0.77 PGR (0.43) HDAC1SRD5A2PGRARALDH1A1

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
EP-3133444-A1 CHEMICALLY AMPLIFIED RESIST MATERIAL, PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD OF COMPOUND OSAKA UNIVERSITY (JP) 2017-02-22 EP disclosed