SCHEMBL19919301

SCHEMBL19919301

C=CC(=O)OCCCC1CC=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
RET P07949 1/20 0.36
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1B10 O60218 2/20 0.31
AKR1B1 P15121 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PTGIR P43119 1/20 0.30
TEAD1 P28347 1/20 0.30
TEAD3 Q99594 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
SCHEMBL6247077 0.72 HTR2A (0.36) CYP3A4RETTP53HSD17B10
SCHEMBL67486 0.70 HTR2A (0.43) THRBTSHRALDH1A1CYP3A4RET
SCHEMBL13839081 0.69 TSHR (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL7608274 0.69 HTR2A (0.37) CYP3A4RETTP53HSD17B10
SCHEMBL4273014 0.68 HTR2A (0.38) CYP3A4RETTP53HSD17B10
SCHEMBL6093587 0.68 HSD17B10 (0.39) TSHRALDH1A1RETHSD17B10PTGDR2
SCHEMBL11124555 0.65 HTR2A (0.37)
SCHEMBL16921465 0.65 THRB (0.55) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL7533400 0.65 TSHR (0.61) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL7046660 0.65 HTR2A (0.38) CYP3A4RETTP53HSD17B10

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
EP-2105478-B1 Inkjet recording method and inkjet recording system FUJIFILM CORP (JP) 2018-02-28 EP disclosed