SCHEMBL6556950

SCHEMBL6556950

C=C(C)C(=O)OCCCc1ccc2cccc(C(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKCD Q05655 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 2/20 0.37
PRKCH P24723 1/20 0.36

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
SCHEMBL6556953 0.93 POLB (0.41) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL6554766 0.85 NR4A1 (0.43) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL12414791 0.82 CYP1A2 (0.48) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL5270063 0.81 CYP1A2 (0.52) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL29503693 0.80 CYP1A2 (0.48) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL17011412 0.79 CYP1A2 (0.47) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL16243627 0.79 TDP1 (0.51) POLBAPEX1HTTTDP1PRKCG
SCHEMBL28989607 0.78 CYP1A2 (0.51) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL29503705 0.78 TDP1 (0.42) POLBAPEX1HTTTDP1CYP1A2
SCHEMBL28989928 0.77 POLB (0.47) POLBAPEX1HTTTDP1CYP1A2

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-0843184-B1 Ocular lens material MENICON CO LTD (JP) 2004-03-03 EP disclosed
US-5811502-A CONTAINING COPOLYMERS OF METHACRYLIC ESTERS AND HAVING OXYGEN PERMEABILITY, SUFFICIENT HARDNESS AND WETTABILITY MENICON CO., LTD. (JP) 1998-09-22 US disclosed
EP-0843184-A2 Ocular lens material Menicon Co., Ltd. (JP) 1998-05-20 EP disclosed