SCHEMBL19254217

SCHEMBL19254217

CCCCC(OC)C(O)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
CTSK P43235 1/20 0.32
DRD3 P35462 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 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
SCHEMBL23347628 0.91 MEN1 (0.36) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL19254451 0.91 MEN1 (0.36) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL18567969 0.91 MEN1 (0.36) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL16064847 0.91 MEN1 (0.36) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL16070864 0.88 MEN1 (0.38) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL19415516 0.83 CASP1 (0.40) MEN1KMT2ACTSKHPGDALDH1A1
SCHEMBL3434101 0.81 MEN1 (0.37) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL3435248 0.81 MEN1 (0.37) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL3435393 0.81 MEN1 (0.37) MEN1KMT2ATAS1R3TAS1R1HSD17B10
SCHEMBL21165432 0.80 MEN1 (0.37) MEN1KMT2AHSD17B10ALDH1A1TSHR

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-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed