SCHEMBL4733428

SCHEMBL4733428

COC(=O)[C@@H]1OCO[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ITGA4 P13612 1/20 0.33
BACE1 P56817 1/20 0.32
POLB P06746 2/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 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
SCHEMBL28091824 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCSUCNR1ALDH1A1
SCHEMBL731754 0.91 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL4369021 0.91 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL731703 0.81 SUCNR1 (0.50) SUCNR1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL5328293 0.81 SUCNR1 (0.50) SUCNR1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL20253775 0.78 BACE1 (0.35) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL16402657 0.78 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL85522 0.78 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL5719777 0.78 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL18166930 0.77 PPM1B (0.32) PPM1BPTPN1PPP1CCALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620922-A Synthetic method of threitol-based polyurethane 郑州轻工业大学 2021-11-09 CN claimed
CN-113620922-B Synthetic method of threitol-based polyurethane 郑州轻工业大学 2022-08-12 CN disclosed
CN-113620922-A Synthetic method of threitol-based polyurethane 郑州轻工业大学 2021-11-09 CN disclosed
WO-2008078249-A1 ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2008-07-03 WO disclosed