SCHEMBL22855833

SCHEMBL22855833

O=C1OC2C3CC[C@@H](O3)C2O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
TFPI2 P48307 2/20 0.44
PMP22 Q01453 2/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
PPM1B O75688 1/20 0.44
PPP1CC P36873 1/20 0.44
RAB9A P51151 1/20 0.44
PPP5C P53041 1/20 0.44
PPP1CA P62136 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15383909 0.80 KDM4E (0.38) KDM4EGMNNLMNATFPI2PMP22
SCHEMBL24497331 0.77 KDM4E (0.35) KDM4EGMNNLMNATFPI2PMP22
SCHEMBL15383910 0.77 KDM4E (0.35) KDM4EGMNNLMNATFPI2PMP22
SCHEMBL24193472 0.77 KDM4E (0.35) KDM4EGMNNLMNATFPI2PMP22
SCHEMBL22034378 0.77 KDM4E (0.35) KDM4EGMNNLMNATFPI2PMP22
SCHEMBL3458350 0.76
SCHEMBL22854334 0.72 KDM4E (0.31) KDM4EGMNNLMNATFPI2PMP22
SCHEMBL17733626 0.69
SCHEMBL14949899 0.68
SCHEMBL19829300 0.67 PPP5C (0.41) RAB9APPP5CSMN1; SMN2MEN1KMT2A

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-20200409264-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2020-12-31 US disclosed