SCHEMBL10077949

SCHEMBL10077949

CC(C)=CC(c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.38
AOC3 Q16853 1/20 0.37
FFAR2 O15552 1/20 0.36
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL903568 0.84 ESR1 (0.43) TSHRHIF1ATDP1LMNAHPGD
SCHEMBL10077946 0.81 CYP1A2 (0.40) TSHRMEN1KMT2ALMNAHPGD
SCHEMBL10077145 0.81 AOC3 (0.37) LMNATP53AOC3
SCHEMBL12448026 0.81 CYP1A2 (0.40) TSHRMEN1KMT2ALMNAHPGD
SCHEMBL13245006 0.80 CA1 (0.32)
SCHEMBL13063293 0.80 TRPA1 (0.40) LMNAHPGDAOC3
SCHEMBL13588182 0.78 ALDH1A1 (0.43) TSHRMAPK1TDP1LMNAAOC3
SCHEMBL14619687 0.77 CYP3A4 (0.36) TP53CYP2C9
SCHEMBL10248843 0.77 ACACB (0.41) MEN1KMT2A
SCHEMBL10125275 0.77 NR1H4 (0.42) TSHRTDP1KMT2ATP53HPGD

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
EP-2362267-B1 Chemically amplified negative resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2013-01-23 EP disclosed
EP-2412733-A1 Polymer, chemically amplified negative resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 EP disclosed