SCHEMBL4439593

SCHEMBL4439593

CC1(C(=O)O)OC1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7939530 0.70 SLC1A3 (0.35) MAPK1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL9223949 0.69 GAA (0.34) MAPK1NPSR1LMNAKMT2AMEN1
Bicarbonate SCHEMBL3901610 0.69 LMNA (0.43) SLC1A3SLC1A2SLC1A1LMNACYP2D6
SCHEMBL543971 0.68 MAPK1 (0.37) MAPK1NPSR1LMNATP53NFKB1
SCHEMBL1576631 0.67 KAT2A (0.33) MAPK1NPSR1LMNATP53NFKB1
SCHEMBL2586871 0.66 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1LMNACYP2C19
SCHEMBL11429330 0.65 GRM2 (0.33) MAPK1NPSR1SLC1A3SLC1A2SLC1A1
Urea SCHEMBL27625501 0.62 ALOX5 (0.52) SLC1A3SLC1A2SLC1A1CYP2D6KMT2A
Bicarbonate SCHEMBL6470832 0.61 CYP1A2 (0.42) LMNACYP2D6KMT2AEPHX1HPGD
SCHEMBL11229998 0.60 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1LMNACYP2C19

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-20090312495-A1 Molding Material For Welding TECHNO POLYMER CO., LTD. (JP) 2009-12-17 US disclosed