SCHEMBL11999009

SCHEMBL11999009

CCC(C)c1ccc(OC2C=Cc3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
SLC7A5 Q01650 1/20 0.38
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 1/20 0.34
ABCB1 P08183 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL11998998 0.77 ALDH1A1 (0.36) ALDH1A1TSHRSLC7A5GAAMAPT
SCHEMBL29723819 0.77 SLC6A2 (0.38) TSHRSIGMAR1
SCHEMBL14665274 0.76 ALDH1A1 (0.44) ALDH1A1TSHRSLC7A5GAAMAPT
SCHEMBL15503538 0.76 SLC7A5 (0.39) ALDH1A1TSHRSLC7A5GAAMAPT
SCHEMBL15503541 0.75 SLC7A5 (0.39) ALDH1A1TSHRSLC7A5GAAMAPT
SCHEMBL11998994 0.74 ALDH1A1 (0.42) ALDH1A1TSHRSLC7A5GAAMAPT
SCHEMBL5039115 0.73 SIGMAR1 (0.35) SMN1; SMN2MEN1KMT2ALMNASIGMAR1
SCHEMBL5036744 0.71 RET (0.36) SMN1; SMN2LMNASIGMAR1
SCHEMBL11998988 0.70 FFAR1 (0.47) ALDH1A1TSHRSLC7A5GAAMAPT
SCHEMBL4516491 0.69 RET (0.42) SMN1; SMN2MEN1KMT2ALMNASIGMAR1

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-20120214091-A1 RESIST FILM, RESIST COATED MASK BLANKS AND METHOD OF FORMING RESIST PATTERN USING THE RESIST FILM, AND CHEMICAL AMPLIFICATION TYPE RESIST COMPOSITION FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed