SCHEMBL13410643

SCHEMBL13410643

O=C(OCCCCCCCCCCCCOC(=O)C1CCC2OC2C1)C1CCC2OC2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.41
PTPN1 P18031 3/20 0.41
PPP1CC P36873 3/20 0.41
NAAA Q02083 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
TFPI2 P48307 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
FKBP1A P62942 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
SCHEMBL13410641 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL258872 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL14534626 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL13294281 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL258830 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL13935570 0.98 PPM1B (0.41) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL13935517 0.95 PPM1B (0.41) PPM1BPTPN1PPP1CCEPHX2KDM4E
SCHEMBL17170757 0.93 PPM1B (0.44) PPM1BPTPN1PPP1CCEPHX2KDM4E
SCHEMBL3800216 0.92 NAAA (0.49) PPM1BPTPN1PPP1CCNAAAEPHX2
SCHEMBL13935408 0.92 NAAA (0.49) PPM1BPTPN1PPP1CCNAAAEPHX2

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-7691920-B2 Ink jet of functionalized waxes XEROX CORPORATION (US) 2010-04-06 US disclosed