SCHEMBL30850335

SCHEMBL30850335

O=C(OCCOCCO)C1CCC2OC2C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.37
PTPN1 P18031 2/20 0.37
PPP1CC P36873 2/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL9862451 1.00 PPM1B (0.37) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL258736 0.94 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHR
SCHEMBL9186669 0.94 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHR
SCHEMBL14394598 0.91 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHR
SCHEMBL259158 0.89 PPM1B (0.44) PPM1BPTPN1PPP1CCTSHR
SCHEMBL13086224 0.87 PPM1B (0.39) PPM1BPTPN1PPP1CC
SCHEMBL13935392 0.87 PPM1B (0.39) PPM1BPTPN1PPP1CC
SCHEMBL13935315 0.85 PPM1B (0.43) PPM1BPTPN1PPP1CCMEN1KMT2A
Triethylene Glycol SCHEMBL258737 0.84 TFPI2 (0.37) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL25822250 0.84 PPM1B (0.35) PPM1BPTPN1PPP1CC

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
CN-115151591-B Composition, cured product, and method for producing cured product 株式会社艾迪科 2024-03-01 CN disclosed