SCHEMBL19982409

SCHEMBL19982409

CCOC(=O)C1=CC2(CCC1SCc1c(C)cccc1Cl)OCC(CO)O2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCC1 P33527 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 2/20 0.31
SIRT3 Q9NTG7 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
P2RX7 Q99572 2/20 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
SCHEMBL19982407 0.90 MAPT (0.36) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL19982454 0.83 TLR4 (0.39) LMNASMN1; SMN2POLBMAPTP2RX7
SCHEMBL19982456 0.83 TLR4 (0.39) LMNASMN1; SMN2POLBMAPTP2RX7
SCHEMBL19970514 0.78 P2RX7 (0.32) ALDH1A1P2RX7
SCHEMBL19982522 0.76 ALDH1A1 (0.35) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL19982406 0.76 TSHR (0.33) KDM4EALDH1A1LMNAPOLBTSHR
SCHEMBL19982563 0.76 TLR4 (0.37) LMNASMN1; SMN2POLBMAPTP2RX7
SCHEMBL19982457 0.73 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL20111186 0.71 LMNA (0.34) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL19970531 0.70 ALDH1A1 (0.33) KDM4EALDH1A1LMNAGAAMEN1

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-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed