SCHEMBL17170757

SCHEMBL17170757

O=C(OCCCOC(=O)C1CCC2OC2C1)C1CCC2OC2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.44
PTPN1 P18031 3/20 0.44
PPP1CC P36873 3/20 0.44
TSHR P16473 2/20 0.35
TFPI2 P48307 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
EPHX2 P34913 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL13935517 0.98 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL13935570 0.95 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL15707638 0.94 PPM1B (0.40) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL13410641 0.93 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL13294281 0.93 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL258872 0.93 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL13410643 0.93 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL14534626 0.93 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL258830 0.93 PPM1B (0.41) PPM1BPTPN1PPP1CCTSHRTFPI2
SCHEMBL259158 0.91 PPM1B (0.44) PPM1BPTPN1PPP1CCTSHRTFPI2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291906-A1 Lubricating Oil Compositions Containing Seal Compatibility Additives And Sterically Hindered Amines BASF SE (DE) 2015-10-15 US disclosed
US-20150291906-A1 Lubricating Oil Compositions Containing Seal Compatibility Additives And Sterically Hindered Amines BASF SE (DE) 2015-10-15 US disclosed