SCHEMBL19976386

SCHEMBL19976386

O=C(O)[C@H]1OCC[C@@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.36
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
TFPI2 P48307 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 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
SCHEMBL18964683 1.00 SUCNR1 (0.36) SUCNR1KDM4EGMNNLMNAPMP22
SCHEMBL19303282 0.86
SCHEMBL18541710 0.86
SCHEMBL9380448 0.80
SCHEMBL5065181 0.76 SUCNR1 (0.39) SUCNR1KDM4ELMNA
SCHEMBL18530044 0.76 SUCNR1 (0.39) SUCNR1KDM4ELMNA
SCHEMBL20888679 0.76 SUCNR1 (0.39) SUCNR1KDM4ELMNA
SCHEMBL5035096 0.76 SUCNR1 (0.39) SUCNR1KDM4ELMNA
SCHEMBL18530019 0.76 SUCNR1 (0.39) SUCNR1KDM4ELMNA
SCHEMBL15859806 0.75 PPM1B (0.34) TP53

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-9919057-B2 Compounds comprising self-immolative group LEGOCHEM BIOSCIENCES, INC. (KR) 2018-03-20 US disclosed