SCHEMBL8733212

SCHEMBL8733212

C=C(C)C(=O)OCCCc1ccc(CCCOC(=O)C(=C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
THRB P10828 2/20 0.52
LMNA P02545 2/20 0.47
THRA P10827 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
CTDSP1 Q9GZU7 2/20 0.41
KDM4E B2RXH2 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL28694550 0.93 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27637385 0.93 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL148938 0.91 LMNA (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14321912 0.91 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7073768 0.91 HTT (0.68) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28028229 0.91 POLB (0.52) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1921399 0.90 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
Lithium SCHEMBL30708617 0.90 LMNA (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21418105 0.89 LMNA (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20412540 0.89 TSHR (0.45) TSHRPOLBAPEX1HTTTDP1

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-0600269-B1 Soft ocular lens material MENICON CO LTD (JP) 1998-02-04 EP claimed
US-5416180-A Fluorine containing (meth)acrylate polymers MENICON CO., LTD. (JP) 1995-05-16 US claimed
EP-0600269-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1994-06-08 EP claimed
EP-0600269-B1 Soft ocular lens material MENICON CO LTD (JP) 1998-02-04 EP disclosed
US-5416180-A Fluorine containing (meth)acrylate polymers MENICON CO., LTD. (JP) 1995-05-16 US disclosed
EP-0600269-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1994-06-08 EP disclosed