SCHEMBL26474236

SCHEMBL26474236

C=C(C)c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
CA2 P00918 1/20 0.33
PTGS1 P23219 2/20 0.33
NQO2 P16083 1/20 0.33
PTGS2 P35354 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
NR1I2 O75469 1/20 0.32
RORC P51449 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MLYCD O95822 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL1476091 0.83 PDE2A (0.46) TSHRCES2CES1NR4A1NR4A2
SCHEMBL15582362 0.82 HSD11B1 (0.46)
SCHEMBL25547743 0.81 MAPT (0.49) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL20616201 0.81 CES2 (0.35) TSHRCES2CES1NR4A1NR4A2
SCHEMBL1474670 0.80 CES2 (0.54) CES2CES1NR4A1NR4A2NR4A3
SCHEMBL86047 0.79 NR1H3 (0.53) NR1H2NR1H3MLYCD
SCHEMBL17232307 0.79 NR1I2 (0.40) TSHRNR1H2NR1H3NR1I2RORC
SCHEMBL11281234 0.78 ESR1 (0.43) TSHRNPC1MAPTRAB9AHDAC1
SCHEMBL465848 0.78 TSHR (0.52) TSHRNPC1MAPTRAB9AHDAC1
SCHEMBL6563424 0.76 TSHR (0.37) TSHRNPC1MAPTRAB9AHDAC1

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-11644752-B2 Polymer, positive resist composition, and method of forming resist pattern ZEON CORPORATION (JP) 2023-05-09 US disclosed