SCHEMBL18545987

SCHEMBL18545987

C=C(c1ccc(C(C)(C)C)cc1)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
SRD5A2 P31213 1/20 0.45
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL20973150 0.80 HDAC1 (0.45) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL28160104 0.78 LMNA (0.52) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL29056487 0.77 HDAC1 (0.42) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL22270130 0.77 ESR1 (0.38) HDAC1SRD5A2TSHRALDH1A1MEN1
SCHEMBL28402174 0.76 LMNA (0.50) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL25907927 0.76 SRD5A2 (0.54) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL7545115 0.76 SRC (0.41) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL465848 0.76 TSHR (0.52) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL12163592 0.74 HDAC1 (0.48) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL9193937 0.74 HDAC1 (0.48) HDAC1LMNATYRSRD5A2TSHR

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-20170052448-A1 RESIST-PATTERN-FORMING METHOD AND CHEMICALLY AMPLIFIED RESIST MATERIAL OSAKA UNIVERSITY (JP) 2017-02-23 US disclosed