SCHEMBL9503998

SCHEMBL9503998

C=C(C)C(=O)OCCCc1cccc([C](O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
HMGB1 P09429 1/20 0.41
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
IAPP P10997 1/20 0.36
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5442445 0.82 POLB (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL28819327 0.79 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL5441216 0.78 POLB (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL16243627 0.78 TDP1 (0.51) TDP1POLBAPEX1HTTTSHR
Hydrochloric Acid SCHEMBL9682193 0.78 POLB (0.38) TDP1POLBAPEX1HTTHMGB1
SCHEMBL27719918 0.77 TSHR (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL27637386 0.76 TSHR (0.54) TDP1POLBAPEX1HTTTSHR
SCHEMBL960073 0.76 IAPP (0.55) TDP1POLBAPEX1HTTTHRB
SCHEMBL29315497 0.76 POLB (0.46) TDP1POLBAPEX1HTTTSHR
SCHEMBL22142082 0.75 POLB (0.45) TDP1POLBAPEX1HTTTSHR

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-0367054-B1 UV CROSSLINKABLE COMPOSITION BASED ON COPOLYMERS OF ISOAMYL (METH)ACRYLATES BASF Aktiengesellschaft (DE) 1993-06-23 EP claimed