SCHEMBL10428461

SCHEMBL10428461

C=C(C)C(=O)OCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
POLB P06746 1/20 1.00
APEX1 P27695 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
PLA2G4B P0C869 6/20 0.61
RARB P10826 3/20 0.58
GAA P10253 1/20 0.57
PLA2G4A P47712 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL8682933 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL10428187 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL8962574 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL8678901 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL1309117 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL9952684 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL11467186 0.99 HTT (0.97) HTTPOLBAPEX1TDP1TSHR
Hydrochloric Acid SCHEMBL6450158 0.99 HTT (0.97) HTTPOLBAPEX1TDP1TSHR
SCHEMBL2034725 0.98 HTT (0.97) HTTPOLBAPEX1TDP1TSHR
SCHEMBL9105115 0.96 HTT (0.92) HTTPOLBAPEX1TDP1TSHR

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
US-4925589-A ADDITION ACRYLIC TYPE POLYMER HOFFMANN-LA ROCHE INC. (US) 1990-05-15 US disclosed
US-4293435-A ACRYLATE POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed