Glycerin

Glycerin

SCHEMBL15059000

CCO.ClCCl.OCC(O)CO

nearest known ligand 0.60

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Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Glycerin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
ALDH1A1 P00352 3/20 0.60
TSHR P16473 6/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
AGTR1 P30556 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 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
Glycerin SCHEMBL5249319 0.89 LMNA (0.75) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL2553942 0.89 LMNA (0.75) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL7455556 0.89 LMNA (0.75) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL8773344 0.89 LMNA (0.75) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL6005529 0.89
Glycerin SCHEMBL29231 0.89
Glycerin SCHEMBL23630291 0.86 LMNA (0.69) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL8003351 0.86 LMNA (0.69) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL17256232 0.86 LMNA (0.69) LMNAALDH1A1TSHRTHRBTDP1
Glycerin SCHEMBL1793735 0.86 LMNA (0.69) LMNAALDH1A1TSHRTHRBTDP1

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
EP-2793962-A1 PROCESS FOR MODIFYING THE SURFACE MORPHOLOGY OF A MEDICAL DEVICE Le, Dang Quang Svend (DK) 2014-10-29 EP disclosed
WO-2013091662-A1 PROCESS FOR MODIFYING THE SURFACE MORPHOLOGY OF A MEDICAL DEVICE AARHUS UNIVERSITET (DK) 2013-06-27 WO disclosed