SCHEMBL9700840

SCHEMBL9700840

C=CCCCP(=O)(CP(=O)(O)O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 1/20 0.42
PPARD Q03181 2/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AOX1 Q06278 1/20 0.30
BTN3A1 O00481 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
SCHEMBL9701761 0.95 LPAR3 (0.45) LPAR3LPAR2PPARDALDH1A1TSHR
SCHEMBL9702696 0.94 LPAR3 (0.47) LPAR3LPAR2PPARDALDH1A1TSHR
SCHEMBL9701946 0.90 PPARD (0.37) LPAR3LPAR2PPARDTSHRTDP1
Water SCHEMBL9701961 0.88 PPARD (0.36) LPAR3LPAR2PPARDTSHRAOX1
SCHEMBL2954341 0.83 LPAR3 (0.46) LPAR3LPAR2PPARDALDH1A1TSHR
SCHEMBL9700821 0.79 PPARD (0.53) LPAR3LPAR2PPARDALDH1A1TSHR
SCHEMBL9701509 0.77 PPARD (0.47) LPAR3LPAR2PPARDTSHRTDP1
SCHEMBL7528050 0.77 LMNA (0.48) PPARDTSHRLMNA
SCHEMBL2954338 0.76 LPAR3 (0.39) LPAR3LPAR2PPARDALDH1A1TSHR
SCHEMBL9701504 0.76 PPARD (0.46) LPAR3LPAR2PPARDALDH1A1LMNA

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