SCHEMBL9501340

SCHEMBL9501340

C=C(C)COCCCCCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
POLB P06746 1/20 0.66
APEX1 P27695 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TP53 P04637 1/20 0.63
TSHR P16473 1/20 0.63
PLA2G4B P0C869 7/20 0.61
PLA2G4A P47712 1/20 0.59
RARB P10826 4/20 0.58
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL9499675 1.00 HTT (0.66) HTTPOLBAPEX1TDP1TP53
SCHEMBL8962570 1.00 HTT (0.66) HTTPOLBAPEX1TDP1TP53
SCHEMBL9499422 1.00 HTT (0.66) HTTPOLBAPEX1TDP1TP53
SCHEMBL9220708 1.00 HTT (0.66) HTTPOLBAPEX1TDP1TP53
SCHEMBL2944311 1.00 HTT (0.66) HTTPOLBAPEX1TDP1TP53
SCHEMBL9499305 1.00 HTT (0.66) HTTPOLBAPEX1TDP1TP53
SCHEMBL9223916 0.98 HTT (0.63) HTTPOLBAPEX1TDP1TP53
SCHEMBL9499699 0.95 HTT (0.59) HTTPOLBAPEX1TDP1TP53
SCHEMBL10428236 0.89 HTT (0.54) HTTPOLBAPEX1TDP1TP53
SCHEMBL10428147 0.89 HTT (0.54) HTTPOLBAPEX1TDP1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322708-B1 POLYMERS WITH AMIDE GROUPS IN THE SIDE CHAINS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
US-4925589-A ADDITION ACRYLIC TYPE POLYMER HOFFMANN-LA ROCHE INC. (US) 1990-05-15 US disclosed
EP-0322708-A2 Polymers with amide groups in the side chains F. HOFFMANN-LA ROCHE AG (CH) 1989-07-05 EP disclosed