SCHEMBL17175367

SCHEMBL17175367

CCC(C)c1ccc(OC(OC2C3CC4CC(C3)CC2C4)C(C)C2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
SLC7A5 Q01650 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17175392 0.89 ALDH1A1 (0.37) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL14177779 0.83 ALDH1A1 (0.38) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL17147937 0.80 ALDH1A1 (0.40) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL16247796 0.79 ALDH1A1 (0.35) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL17424296 0.78 ALDH1A1 (0.35) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL18474085 0.77 SLC7A5 (0.39) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL15299182 0.77 ALDH1A1 (0.34) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL17175301 0.77 ALDH1A1 (0.34) ALDH1A1TSHRSLC7A5MEN1KMT2A
SCHEMBL25634713 0.77 MEN1 (0.33) MEN1KMT2ACYP2D6CYP2C19
SCHEMBL14667707 0.76 SLC7A5 (0.40) ALDH1A1TSHRSLC7A5MEN1KMT2A

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-20150293446-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION, RESIST FILM USING THE SAME, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-10-15 US disclosed