SCHEMBL9701946

SCHEMBL9701946

C=CCCP(=O)(CP(=O)(O)O)OCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.37
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TSHR P16473 2/20 0.32
AOX1 Q06278 1/20 0.32
BTN3A1 O00481 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MMP2 P08253 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 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
Water SCHEMBL9701961 0.98 PPARD (0.36) PPARDLPAR3LPAR2TSHRAOX1
SCHEMBL9700840 0.90 LPAR3 (0.42) PPARDLPAR3LPAR2TSHRAOX1
SCHEMBL9701761 0.88 LPAR3 (0.45) PPARDLPAR3LPAR2TSHR
SCHEMBL9702696 0.87 LPAR3 (0.47) PPARDLPAR3LPAR2TSHR
SCHEMBL2954341 0.76 LPAR3 (0.46) PPARDLPAR3LPAR2TSHR
SCHEMBL6550130 0.73 FNTA (0.59) FNTAFNTB
SCHEMBL6550133 0.73 FNTA (0.59) FNTAFNTB
SCHEMBL9701509 0.73 PPARD (0.47) PPARDLPAR3LPAR2TSHRKDM4E
SCHEMBL7528050 0.73 LMNA (0.48) PPARDTSHR
SCHEMBL212199 0.72 PPARD (0.52) PPARDLPAR3LPAR2TSHRAOX1

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
EP-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP disclosed