SCHEMBL6234773

SCHEMBL6234773

C=C(C)C(=O)OCCCOP(=O)(O)Oc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RY10 O00398 1/20 0.33

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
SCHEMBL345074 0.92 POLB (0.42) POLBAPEX1HTTTDP1MAPT
SCHEMBL7052527 0.88 POLB (0.50) POLBAPEX1HTTTDP1MAPT
SCHEMBL2470935 0.85 POLB (0.52) POLBAPEX1HTTTDP1TSHR
SCHEMBL15412 0.80 TSHR (0.55) POLBAPEX1HTTTDP1TSHR
SCHEMBL105672 0.80 ALDH1A1 (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL5270751 0.80 POLB (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL28104073 0.80 POLB (0.43) POLBAPEX1HTTTDP1MAPT
SCHEMBL20283752 0.79 TDP1 (0.43) POLBAPEX1HTTTDP1MAPT
Phosphoric Acid SCHEMBL17764817 0.79 ALDH1A1 (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL28245779 0.79 TSHR (0.53) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1269968-B1 Dental cement composition KURARAY CO (JP) 2005-10-12 EP disclosed
EP-1269967-B1 Dental composition kit KURARAY CO (JP) 2005-05-18 EP disclosed
US-6869984-B2 Dental composition kit KURARAY CO., LTD. (JP) 2005-03-22 US disclosed
US-20030083398-A1 Dental composition kit KURARAY CO. LTD. (JP) 2003-05-01 US disclosed
EP-1269967-A1 Dental composition kit KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed
EP-1269968-A1 Dental cement composition KURARAY CO., LTD. (JP) 2003-01-02 EP disclosed