SCHEMBL5609102

SCHEMBL5609102

CCCCCCCCCCCC(O)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 6/20 0.51
RARB P10826 8/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
PLA2G4A P47712 1/20 0.47

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
SCHEMBL8840752 0.98 TP53 (0.50) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL7529408 0.94 TP53 (0.47) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL8528683 0.94 ALDH1A1 (0.47) TP53TSHRPLA2G4BALDH1A1MAPT
SCHEMBL10791097 0.89 CTSK (0.54) TP53TSHRALDH1A1MEN1KMT2A
SCHEMBL27650049 0.89 CTSK (0.54) TP53TSHRALDH1A1MEN1KMT2A
SCHEMBL1263538 0.88 ESR1 (0.54) TSHRALDH1A1MAPT
SCHEMBL29051387 0.88 ESR1 (0.54) TSHRALDH1A1MAPT
Terephthalic Acid SCHEMBL8439001 0.87 MAPT (0.49) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL2061233 0.87 MAPT (0.49) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL7529405 0.87 TSHR (0.46) TSHRALDH1A1MEN1MAPTKMT2A

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-1253164-B1 Polyether multiblock copolymer STICHTING DUTCH POLYMER INST (NL) 2007-12-12 EP disclosed
EP-1253164-A1 Polyether multiblock copolymer Stichting Dutch Polymer Institute (NL) 2002-10-30 EP disclosed